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

Systemtic Name: 3-(4-phenylmethoxyphenyl)propyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 3-(4-benzyloxyphenyl)propyl 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 3-(4-phenylmethoxyphenyl)propyl ester IUPAC Name: 3-(4-phenylmethoxyphenyl)propyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 3-(4-benzoxyphenyl)propyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OCCCC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OCCCC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O3S/c1-16-20(14-23-22(28)24-16)21(25)26-13-5-8-17-9-11-19(12-10-17)27-15-18-6-3-2-4-7-18/h2-4,6-7,9-12H,5,8,13-15H2,1H3,(H2,23,24,28)