ethyl 3-(3-azanyl-3-oxidanylidene-propyl)-4-(4-chlorophenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-(3-azanyl-3-oxidanylidene-propyl)-4-(4-chlorophenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-(3-amino-3-oxo-propyl)-4-(4-chlorophenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 3-(3-amino-3-oxopropyl)-4-(4-chlorophenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-amino-3-oxopropyl)-4-(4-chlorophenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 3-(3-amino-3-keto-propyl)-4-(4-chlorophenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C17H20ClN3O3S MolecularWeight: 381.877

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)N(C1C2=CC=C(C=C2)Cl)CCC(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)N(C1C2=CC=C(C=C2)Cl)CCC(=O)N)C

InChI

InChI=1S/C17H20ClN3O3S/c1-3-24-16(23)14-10(2)20-17(25)21(9-8-13(19)22)15(14)11-4-6-12(18)7-5-11/h4-7,15H,3,8-9H2,1-2H3,(H2,19,22)(H,20,25)