VKP

6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)sulfanyl]pyrazin-2-amine

Created:2020-08-24
Last modified:  2020-09-23

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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count0
Bond Count45
Aromatic Bond Count12
2D diagram of VKP

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Chemical Component Summary

Name6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)sulfanyl]pyrazin-2-amine
Systematic Name (OpenEye OEToolkits)6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]sulfanyl-pyrazin-2-amine
FormulaC16 H19 Cl2 N5 S
Molecular Weight384.327
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2(Sc1c(c(ccc1)Cl)Cl)ncc(nc2N)N3CCC(N)(CC3)C
SMILESCACTVS3.385CC1(N)CCN(CC1)c2cnc(Sc3cccc(Cl)c3Cl)c(N)n2
SMILESOpenEye OEToolkits2.0.7CC1(CCN(CC1)c2cnc(c(n2)N)Sc3cccc(c3Cl)Cl)N
Canonical SMILESCACTVS3.385 CC1(N)CCN(CC1)c2cnc(Sc3cccc(Cl)c3Cl)c(N)n2
Canonical SMILESOpenEye OEToolkits2.0.7 CC1(CCN(CC1)c2cnc(c(n2)N)Sc3cccc(c3Cl)Cl)N
InChIInChI1.03 InChI=1S/C16H19Cl2N5S/c1-16(20)5-7-23(8-6-16)12-9-21-15(14(19)22-12)24-11-4-2-3-10(17)13(11)18/h2-4,9H,5-8,20H2,1H3,(H2,19,22)
InChIKeyInChI1.03 VPEZYDNNURIHBQ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 118239942