methyl (E)-4-(3-azanyl-4-oxidanylidene-quinazolin-2-yl)sulfanylbut-2-enoate

Systemtic Name: methyl (E)-4-(3-azanyl-4-oxidanylidene-quinazolin-2-yl)sulfanylbut-2-enoate Openeye Name: methyl (E)-4-(3-amino-4-oxo-quinazolin-2-yl)sulfanylbut-2-enoate CAS Name: (E)-4-[(3-amino-4-oxo-2-quinazolinyl)thio]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(3-amino-4-oxoquinazolin-2-yl)sulfanylbut-2-enoate Traditional Name: (E)-4-[(3-amino-4-keto-quinazolin-2-yl)thio]but-2-enoic acid methyl ester Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCSC1=NC2=CC=CC=C2C(=O)N1N

Isomeric SMILES

COC(=O)/C=C/CSC1=NC2=CC=CC=C2C(=O)N1N

InChI

InChI=1S/C13H13N3O3S/c1-19-11(17)7-4-8-20-13-15-10-6-3-2-5-9(10)12(18)16(13)14/h2-7H,8,14H2,1H3/b7-4+