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

Systemtic Name: (phenylmethyl) 4-azanyl-5-(3,5-ditert-butyl-4-oxidanyl-phenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 4-amino-5-(3,5-ditert-butyl-4-hydroxy-phenyl)-7-methyl-2-thioxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-5-(3,5-ditert-butyl-4-hydroxyphenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-amino-5-(3,5-ditert-butyl-4-hydroxyphenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-5-(3,5-ditert-butyl-4-hydroxy-phenyl)-7-methyl-2-thioxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C30H36N4O3S MolecularWeight: 532.69684

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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)C(C)(C)C)O)C(C)(C)C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C30H36N4O3S/c1-16-21(27(36)37-15-17-11-9-8-10-12-17)22(23-25(31)33-28(38)34-26(23)32-16)18-13-19(29(2,3)4)24(35)20(14-18)30(5,6)7/h8-14,22,35H,15H2,1-7H3,(H4,31,32,33,34,38)