9-(phenylmethyl)-8-[4-(6-pyridin-2-ylpyridin-3-yl)phenyl]purin-6-amine

Systemtic Name: 9-(phenylmethyl)-8-[4-(6-pyridin-2-ylpyridin-3-yl)phenyl]purin-6-amine Openeye Name: 9-benzyl-8-[4-[6-(2-pyridyl)-3-pyridyl]phenyl]purin-6-amine CAS Name: 9-(phenylmethyl)-8-[4-[6-(2-pyridinyl)-3-pyridinyl]phenyl]-6-purinamine IUPAC Name: 9-benzyl-8-[4-(6-pyridin-2-ylpyridin-3-yl)phenyl]purin-6-amine Traditional Name: [9-benzyl-8-[4-[6-(2-pyridyl)-3-pyridyl]phenyl]purin-6-yl]amine Formula: C28H21N7 MolecularWeight: 455.51324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N)N=C2C4=CC=C(C=C4)C5=CN=C(C=C5)C6=CC=CC=N6

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N)N=C2C4=CC=C(C=C4)C5=CN=C(C=C5)C6=CC=CC=N6

InChI

InChI=1S/C28H21N7/c29-26-25-28(33-18-32-26)35(17-19-6-2-1-3-7-19)27(34-25)21-11-9-20(10-12-21)22-13-14-24(31-16-22)23-8-4-5-15-30-23/h1-16,18H,17H2,(H2,29,32,33)