methyl 6-methyl-2-(3-phenylpropyl)-4-sulfanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 6-methyl-2-(3-phenylpropyl)-4-sulfanylidene-1H-pyrimidine-5-carboxylate Openeye Name: methyl 6-methyl-2-(3-phenylpropyl)-4-thioxo-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-(3-phenylpropyl)-4-sulfanylidene-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-(3-phenylpropyl)-4-sulfanylidene-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-(3-phenylpropyl)-4-thioxo-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=S)N=C(N1)CCCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(=S)N=C(N1)CCCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C16H18N2O2S/c1-11-14(16(19)20-2)15(21)18-13(17-11)10-6-9-12-7-4-3-5-8-12/h3-5,7-8H,6,9-10H2,1-2H3,(H,17,18,21)