methyl 3-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[3-[4-(2,5-dimethylphenyl)-1-piperazinyl]propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-[3-[4-(2,5-dimethylphenyl)piperazino]propyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)CCCN3C(=O)C4=C(C=C(C=C4)C(=O)OC)NC3=S

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)CCCN3C(=O)C4=C(C=C(C=C4)C(=O)OC)NC3=S

InChI

InChI=1S/C25H30N4O3S/c1-17-5-6-18(2)22(15-17)28-13-11-27(12-14-28)9-4-10-29-23(30)20-8-7-19(24(31)32-3)16-21(20)26-25(29)33/h5-8,15-16H,4,9-14H2,1-3H3,(H,26,33)