methyl 2-[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl]sulfanyl-3-butyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl]sulfanyl-3-butyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[(E)-4-amino-3-cyano-2-oxo-pent-3-enyl]sulfanyl-3-butyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[(E)-4-amino-3-cyano-2-oxopent-3-enyl]thio]-3-butyl-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(E)-4-amino-3-cyano-2-oxopent-3-enyl]sulfanyl-3-butyl-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[(E)-4-amino-3-cyano-2-keto-pent-3-enyl]thio]-3-butyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C20H22N4O4S/c1-4-5-8-24-18(26)14-7-6-13(19(27)28-3)9-16(14)23-20(24)29-11-17(25)15(10-21)12(2)22/h6-7,9H,4-5,8,11,22H2,1-3H3/b15-12+