methyl 2-[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl]sulfanyl-3-butyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl]sulfanyl-3-butyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-butyl-2-[(3S)-3-cyano-4-imino-2-oxo-pentyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-butyl-2-[[(3S)-3-cyano-4-imino-2-oxopentyl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-2-[(3S)-3-cyano-4-imino-2-oxopentyl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-butyl-2-[[(3S)-3-cyano-4-imino-2-keto-pentyl]thio]-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#N)C(=N)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)[C@H](C#N)C(=N)C

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/h6-7,9,15,22H,4-5,8,11H2,1-3H3/t15-/m1/s1