propan-2-yl 4-[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 4-[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: isopropyl 4-[4-(2-amino-2-oxo-ethoxy)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[4-(2-amino-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[4-(2-amino-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-(2-amino-2-keto-ethoxy)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid isopropyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S/c1-9(2)24-16(22)14-10(3)19-17(25)20-15(14)11-4-6-12(7-5-11)23-8-13(18)21/h4-7,9,15H,8H2,1-3H3,(H2,18,21)(H2,19,20,25)