(phenylmethyl) 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: (phenylmethyl) 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: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C23H21BrN4O4S MolecularWeight: 529.40624

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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)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C2=C(NC(=S)N=C2N1)N)C3=CC(=C(C(=C3)Br)O)OC)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H21BrN4O4S/c1-11-16(22(30)32-10-12-6-4-3-5-7-12)17(13-8-14(24)19(29)15(9-13)31-2)18-20(25)27-23(33)28-21(18)26-11/h3-9,17,29H,10H2,1-2H3,(H4,25,26,27,28,33)