ethyl 4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate hydrate

Systemtic Name: ethyl 4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate hydrate Openeye Name: ethyl 4-(4-methoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate hydrate CAS Name: 4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester hydrate IUPAC Name: ethyl 4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate hydrate Traditional Name: 4-(4-methoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester hydrate Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)OC)C.O

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)OC)C.O

InChI

InChI=1S/C15H18N2O3S.H2O/c1-4-20-14(18)12-9(2)16-15(21)17-13(12)10-5-7-11(19-3)8-6-10;/h5-8,13H,4H2,1-3H3,(H2,16,17,21);1H2