2-methylpropyl 6-[4-(ethylcarbamoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl 6-[4-(ethylcarbamoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 6-[4-(ethylcarbamoylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-(ethylcarbamoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 6-[4-(ethylcarbamoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-(ethylcarbamoylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O3S/c1-6-21-19(26)22-15-9-7-14(8-10-15)17-16(18(25)27-11-12(2)3)13(4)24(5)20(28)23-17/h7-10,12,17H,6,11H2,1-5H3,(H,23,28)(H2,21,22,26)