ethyl 3-azanyl-6-(3-ethoxy-4-oxidanyl-phenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-azanyl-6-(3-ethoxy-4-oxidanyl-phenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-amino-6-(3-ethoxy-4-hydroxy-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-amino-6-(3-ethoxy-4-hydroxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-6-(3-ethoxy-4-hydroxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-amino-6-(3-ethoxy-4-hydroxy-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(N(C(=S)N2)N)C)C(=O)OCC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(N(C(=S)N2)N)C)C(=O)OCC)O

InChI

InChI=1S/C16H21N3O4S/c1-4-22-12-8-10(6-7-11(12)20)14-13(15(21)23-5-2)9(3)19(17)16(24)18-14/h6-8,14,20H,4-5,17H2,1-3H3,(H,18,24)