2-ethylbutyl 4-(4-dimethylaminophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-ethylbutyl 4-(4-dimethylaminophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-ethylbutyl 4-(4-dimethylaminophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-dimethylaminophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-ethylbutyl ester IUPAC Name: 2-ethylbutyl 4-(4-dimethylaminophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-dimethylaminophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-ethylbutyl ester Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)COC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)N(C)C)C

Isomeric SMILES

CCC(CC)COC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)N(C)C)C

InChI

InChI=1S/C20H29N3O2S/c1-6-14(7-2)12-25-19(24)17-13(3)21-20(26)22-18(17)15-8-10-16(11-9-15)23(4)5/h8-11,14,18H,6-7,12H2,1-5H3,(H2,21,22,26)