ethyl 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: ethyl 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: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H19BrN4O4S MolecularWeight: 467.33686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=NC(=S)NC(=C2C1C3=CC(=C(C(=C3)Br)O)OC)N)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=NC(=S)NC(=C2C1C3=CC(=C(C(=C3)Br)O)OC)N)C

InChI

InChI=1S/C18H19BrN4O4S/c1-4-27-17(25)11-7(2)21-16-13(15(20)22-18(28)23-16)12(11)8-5-9(19)14(24)10(6-8)26-3/h5-6,12,24H,4H2,1-3H3,(H4,20,21,22,23,28)