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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(2-methylpropyl)-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-isobutyl-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-(2-methylpropyl)-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-isobutyl-2-(quinazolin-4-ylthio)acetamide Formula: C22H28N6O3S MolecularWeight: 456.56112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CSC2=NC=NC3=CC=CC=C32)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CSC2=NC=NC3=CC=CC=C32)N

InChI

InChI=1S/C22H28N6O3S/c1-4-5-10-27-19(23)18(20(30)26-22(27)31)28(11-14(2)3)17(29)12-32-21-15-8-6-7-9-16(15)24-13-25-21/h6-9,13-14H,4-5,10-12,23H2,1-3H3,(H,26,30,31)