methyl 4-azanyl-5-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 4-azanyl-5-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 4-amino-5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-7-methyl-2-thioxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 4-amino-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-7-methyl-2-thioxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C17H17BrN4O4S MolecularWeight: 453.31028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(NC(=S)N=C2N1)N)C3=CC(=C(C(=C3)Br)O)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(C2=C(NC(=S)N=C2N1)N)C3=CC(=C(C(=C3)Br)O)OC)C(=O)OC

InChI

InChI=1S/C17H17BrN4O4S/c1-6-10(16(24)26-3)11(7-4-8(18)13(23)9(5-7)25-2)12-14(19)21-17(27)22-15(12)20-6/h4-5,11,23H,1-3H3,(H4,19,20,21,22,27)