6-(2-methylphenyl)-8-(oxan-4-yl)-2-[[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one

Systemtic Name: 6-(2-methylphenyl)-8-(oxan-4-yl)-2-[[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one Openeye Name: 6-(o-tolyl)-2-[[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]amino]-8-tetrahydropyran-4-yl-pyrido[2,3-d]pyrimidin-7-one CAS Name: 6-(2-methylphenyl)-8-(4-oxanyl)-2-[[(3S)-1-(2-pyrimidinyl)-3-pyrrolidinyl]amino]-7-pyrido[2,3-d]pyrimidinone IUPAC Name: 6-(2-methylphenyl)-8-(oxan-4-yl)-2-[[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one Traditional Name: 6-(o-tolyl)-2-[[(3S)-1-(2-pyrimidyl)pyrrolidin-3-yl]amino]-8-tetrahydropyran-4-yl-pyrido[2,3-d]pyrimidin-7-one Formula: C27H29N7O2 MolecularWeight: 483.56486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC3=CN=C(N=C3N(C2=O)C4CCOCC4)NC5CCN(C5)C6=NC=CC=N6

Isomeric SMILES

CC1=CC=CC=C1C2=CC3=CN=C(N=C3N(C2=O)C4CCOCC4)N[C@H]5CCN(C5)C6=NC=CC=N6

InChI

InChI=1S/C27H29N7O2/c1-18-5-2-3-6-22(18)23-15-19-16-30-26(31-20-7-12-33(17-20)27-28-10-4-11-29-27)32-24(19)34(25(23)35)21-8-13-36-14-9-21/h2-6,10-11,15-16,20-21H,7-9,12-14,17H2,1H3,(H,30,31,32)/t20-/m0/s1