ethyl 2-[2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-azanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-azanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[2-(3-acetamidoanilino)-2-oxo-ethyl]sulfanyl-4-amino-pyrimidine-5-carboxylate CAS Name: 2-[[2-(3-acetamidoanilino)-2-oxoethyl]thio]-4-amino-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-4-aminopyrimidine-5-carboxylate Traditional Name: 2-[[2-(3-acetamidoanilino)-2-keto-ethyl]thio]-4-amino-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H19N5O4S MolecularWeight: 389.42886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC=CC(=C2)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC=CC(=C2)NC(=O)C

InChI

InChI=1S/C17H19N5O4S/c1-3-26-16(25)13-8-19-17(22-15(13)18)27-9-14(24)21-12-6-4-5-11(7-12)20-10(2)23/h4-8H,3,9H2,1-2H3,(H,20,23)(H,21,24)(H2,18,19,22)