N-[4-(5-methylpyrimidin-2-yl)phenyl]-6-piperidin-1-yl-9-(pyridin-2-ylmethyl)purin-2-amine

Systemtic Name: N-[4-(5-methylpyrimidin-2-yl)phenyl]-6-piperidin-1-yl-9-(pyridin-2-ylmethyl)purin-2-amine Openeye Name: N-[4-(5-methylpyrimidin-2-yl)phenyl]-6-(1-piperidyl)-9-(2-pyridylmethyl)purin-2-amine CAS Name: N-[4-(5-methyl-2-pyrimidinyl)phenyl]-6-(1-piperidinyl)-9-(2-pyridinylmethyl)-2-purinamine IUPAC Name: N-[4-(5-methylpyrimidin-2-yl)phenyl]-6-piperidin-1-yl-9-(pyridin-2-ylmethyl)purin-2-amine Traditional Name: [4-(5-methylpyrimidin-2-yl)phenyl]-[6-piperidino-9-(2-pyridylmethyl)purin-2-yl]amine Formula: C27H27N9 MolecularWeight: 477.56358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1)C2=CC=C(C=C2)NC3=NC4=C(C(=N3)N5CCCCC5)N=CN4CC6=CC=CC=N6

Isomeric SMILES

CC1=CN=C(N=C1)C2=CC=C(C=C2)NC3=NC4=C(C(=N3)N5CCCCC5)N=CN4CC6=CC=CC=N6

InChI

InChI=1S/C27H27N9/c1-19-15-29-24(30-16-19)20-8-10-21(11-9-20)32-27-33-25(35-13-5-2-6-14-35)23-26(34-27)36(18-31-23)17-22-7-3-4-12-28-22/h3-4,7-12,15-16,18H,2,5-6,13-14,17H2,1H3,(H,32,33,34)