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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=NC(=S)NC(=C2C1C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)N)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC2=NC(=S)NC(=C2C1C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)N)C4=CC=CC=C4

InChI

InChI=1S/C30H36N4O3S/c1-8-37-27(36)21-20(17-14-18(29(2,3)4)24(35)19(15-17)30(5,6)7)22-25(31)33-28(38)34-26(22)32-23(21)16-12-10-9-11-13-16/h9-15,20,35H,8H2,1-7H3,(H4,31,32,33,34,38)