methyl 3-[[4-(4-ethoxycarbonylpiperazin-1-yl)carbonylphenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[[4-(4-ethoxycarbonylpiperazin-1-yl)carbonylphenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[[4-(4-ethoxycarbonylpiperazine-1-carbonyl)phenyl]methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[[4-[(4-ethoxycarbonyl-1-piperazinyl)-oxomethyl]phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(4-ethoxycarbonylpiperazine-1-carbonyl)phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-[4-(4-carbethoxypiperazine-1-carbonyl)benzyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C25H26N4O6S MolecularWeight: 510.56214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=C(C=C4)C(=O)OC)NC3=S

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=C(C=C4)C(=O)OC)NC3=S

InChI

InChI=1S/C25H26N4O6S/c1-3-35-25(33)28-12-10-27(11-13-28)21(30)17-6-4-16(5-7-17)15-29-22(31)19-9-8-18(23(32)34-2)14-20(19)26-24(29)36/h4-9,14H,3,10-13,15H2,1-2H3,(H,26,36)