2-methylpropyl 6-[4-[(2,3-dimethylphenyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl 6-[4-[(2,3-dimethylphenyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 6-[4-[(2,3-dimethylphenyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[[(2,3-dimethylanilino)-oxomethyl]amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 6-[4-[(2,3-dimethylphenyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-[(2,3-dimethylphenyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)NC3=CC=CC(=C3C)C)C(=O)OCC(C)C)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)NC3=CC=CC(=C3C)C)C(=O)OCC(C)C)C

InChI

InChI=1S/C27H34N4O3S/c1-7-31-19(6)23(25(32)34-15-16(2)3)24(30-27(31)35)20-11-13-21(14-12-20)28-26(33)29-22-10-8-9-17(4)18(22)5/h8-14,16,24H,7,15H2,1-6H3,(H,30,35)(H2,28,29,33)