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

Systemtic Name: 5-phenylpentyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 5-phenylpentyl 4-(hydroxymethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 5-phenylpentyl ester IUPAC Name: 5-phenylpentyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-methylol-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 5-phenylpentyl ester Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)CO)C(=O)OCCCCCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(NC(=S)N1)CO)C(=O)OCCCCCC2=CC=CC=C2

InChI

InChI=1S/C18H24N2O3S/c1-13-16(15(12-21)20-18(24)19-13)17(22)23-11-7-3-6-10-14-8-4-2-5-9-14/h2,4-5,8-9,15,21H,3,6-7,10-12H2,1H3,(H2,19,20,24)