S6V

1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea

Created:	2020-03-04
Last modified:	2020-04-15

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4 entries where S6V is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	6

2D diagram of S6V

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Chemical Component Summary
Name	1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea
Systematic Name (OpenEye OEToolkits)	1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea
Formula	C₁₃ H₁₇ N₃ O₂
Molecular Weight	247.293
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C(NCCN1CCCC1=O)Nc2ccccc2
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)NC(=O)NCCN2CCCC2=O
Canonical SMILES	CACTVS	3.385	O=C(NCCN1CCCC1=O)Nc2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)NC(=O)NCCN2CCCC2=O
InChI	InChI	1.03	InChI=1S/C13H17N3O2/c17-12-7-4-9-16(12)10-8-14-13(18)15-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H2,14,15,18)
InChIKey	InChI	1.03	OYRHWZOYGOUXNC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	741243
ChEMBL	CHEMBL1372697

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