5-(3,5-ditert-butyl-4-oxidanyl-phenyl)-7-phenyl-2-sulfanylidene-5,8-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(3,5-ditert-butyl-4-oxidanyl-phenyl)-7-phenyl-2-sulfanylidene-5,8-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one Openeye Name: 5-(3,5-ditert-butyl-4-hydroxy-phenyl)-7-phenyl-2-thioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one CAS Name: 5-(3,5-ditert-butyl-4-hydroxyphenyl)-7-phenyl-2-sulfanylidene-5,8-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one IUPAC Name: 5-(3,5-ditert-butyl-4-hydroxyphenyl)-7-phenyl-2-sulfanylidene-5,8-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one Traditional Name: 5-(3,5-ditert-butyl-4-hydroxy-phenyl)-7-phenyl-2-thioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2C=C(NC3=C2C(=O)NC(=S)N3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2C=C(NC3=C2C(=O)NC(=S)N3)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O2S/c1-26(2,3)18-12-16(13-19(22(18)31)27(4,5)6)17-14-20(15-10-8-7-9-11-15)28-23-21(17)24(32)30-25(33)29-23/h7-14,17,31H,1-6H3,(H3,28,29,30,32,33)