2-methylpropyl 6-[4-[(2-ethoxy-2-oxidanylidene-ethyl)carbamoylamino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl 6-[4-[(2-ethoxy-2-oxidanylidene-ethyl)carbamoylamino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 6-[4-[(2-ethoxy-2-oxo-ethyl)carbamoylamino]phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[[[(2-ethoxy-2-oxoethyl)amino]-oxomethyl]amino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 6-[4-[(2-ethoxy-2-oxoethyl)carbamoylamino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-[(2-ethoxy-2-keto-ethyl)carbamoylamino]phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C22H30N4O5S MolecularWeight: 462.5624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)NC1=CC=C(C=C1)C2C(=C(N(C(=S)N2)C)C)C(=O)OCC(C)C

Isomeric SMILES

CCOC(=O)CNC(=O)NC1=CC=C(C=C1)C2C(=C(N(C(=S)N2)C)C)C(=O)OCC(C)C

InChI

InChI=1S/C22H30N4O5S/c1-6-30-17(27)11-23-21(29)24-16-9-7-15(8-10-16)19-18(20(28)31-12-13(2)3)14(4)26(5)22(32)25-19/h7-10,13,19H,6,11-12H2,1-5H3,(H,25,32)(H2,23,24,29)