8-(2-adamantyl)-2-[(4-pyrazol-1-ylphenyl)amino]pyrido[2,3-d]pyrimidin-7-one

Systemtic Name: 8-(2-adamantyl)-2-[(4-pyrazol-1-ylphenyl)amino]pyrido[2,3-d]pyrimidin-7-one Openeye Name: 8-(2-adamantyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one CAS Name: 8-(2-adamantyl)-2-[4-(1-pyrazolyl)anilino]-7-pyrido[2,3-d]pyrimidinone IUPAC Name: 8-(2-adamantyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one Traditional Name: 8-(2-adamantyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one Formula: C26H26N6O MolecularWeight: 438.52424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3N4C(=O)C=CC5=CN=C(N=C54)NC6=CC=C(C=C6)N7C=CC=N7

Isomeric SMILES

C1C2CC3CC1CC(C2)C3N4C(=O)C=CC5=CN=C(N=C54)NC6=CC=C(C=C6)N7C=CC=N7

InChI

InChI=1S/C26H26N6O/c33-23-7-2-18-15-27-26(29-21-3-5-22(6-4-21)31-9-1-8-28-31)30-25(18)32(23)24-19-11-16-10-17(13-19)14-20(24)12-16/h1-9,15-17,19-20,24H,10-14H2,(H,27,29,30)