LII

(Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE

Created: 2002-01-07
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count0
Bond Count46
Aromatic Bond Count17
2D diagram of LII
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Chemical Component Summary

Name(Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE
SynonymsSRI-9662
Systematic Name (OpenEye OEToolkits)6-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-5-methyl-pyrido[3,2-e]pyrimidine-2,4-diamine
FormulaC18 H19 N5 O2
Molecular Weight337.376
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04n1cc(c(c2c1nc(nc2N)N)C)/C=C\c3cc(OC)ccc3OC
SMILESCACTVS3.341COc1ccc(OC)c(C=Cc2cnc3nc(N)nc(N)c3c2C)c1
SMILESOpenEye OEToolkits1.5.0Cc1c(cnc2c1c(nc(n2)N)N)C=Cc3cc(ccc3OC)OC
Canonical SMILESCACTVS3.341 COc1ccc(OC)c(\C=C/c2cnc3nc(N)nc(N)c3c2C)c1
Canonical SMILESOpenEye OEToolkits1.5.0 Cc1c(cnc2c1c(nc(n2)N)N)\C=C/c3cc(ccc3OC)OC
InChIInChI1.03 InChI=1S/C18H19N5O2/c1-10-12(9-21-17-15(10)16(19)22-18(20)23-17)5-4-11-8-13(24-2)6-7-14(11)25-3/h4-9H,1-3H3,(H4,19,20,21,22,23)/b5-4-
InChIKeyInChI1.03 WNDJHUNKXPAREB-PLNGDYQASA-N

Drug Info: DrugBank

DrugBank IDDB03060 
NameSri-9662
Groups experimental
SynonymsSri-9662

Drug Targets

NameTarget SequencePharmacological ActionActions
Dihydrofolate reductaseMVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNL...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 446753