N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-cyclopentyl-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-cyclopentyl-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-cyclopentyl-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-cyclopentyl-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-cyclopentyl-2-(quinazolin-4-ylthio)acetamide Formula: C23H28N6O3S MolecularWeight: 468.57182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=O)CSC3=NC=NC4=CC=CC=C43)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=O)CSC3=NC=NC4=CC=CC=C43)N

InChI

InChI=1S/C23H28N6O3S/c1-2-3-12-28-20(24)19(21(31)27-23(28)32)29(15-8-4-5-9-15)18(30)13-33-22-16-10-6-7-11-17(16)25-14-26-22/h6-7,10-11,14-15H,2-5,8-9,12-13,24H2,1H3,(H,27,31,32)