4-phenylmethoxybut-2-ynyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 4-phenylmethoxybut-2-ynyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 4-benzyloxybut-2-ynyl 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 4-phenylmethoxybut-2-ynyl ester IUPAC Name: 4-phenylmethoxybut-2-ynyl 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 4-benzoxybut-2-ynyl ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OCC#CCOCC2=CC=CC=C2

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OCC#CCOCC2=CC=CC=C2

InChI

InChI=1S/C17H18N2O3S/c1-13-15(11-18-17(23)19-13)16(20)22-10-6-5-9-21-12-14-7-3-2-4-8-14/h2-4,7-8H,9-12H2,1H3,(H2,18,19,23)