8-(phenylmethyl)-9-(1-pyridin-4-ylpropyl)purine-2,6-diamine

Systemtic Name: 8-(phenylmethyl)-9-(1-pyridin-4-ylpropyl)purine-2,6-diamine Openeye Name: 8-benzyl-9-[1-(4-pyridyl)propyl]purine-2,6-diamine CAS Name: 8-(phenylmethyl)-9-(1-pyridin-4-ylpropyl)purine-2,6-diamine IUPAC Name: 8-benzyl-9-(1-pyridin-4-ylpropyl)purine-2,6-diamine Traditional Name: [2-amino-8-benzyl-9-[1-(4-pyridyl)propyl]purin-6-yl]amine Formula: C20H21N7 MolecularWeight: 359.42764

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=NC=C1)N2C(=NC3=C2N=C(N=C3N)N)CC4=CC=CC=C4

Isomeric SMILES

CCC(C1=CC=NC=C1)N2C(=NC3=C2N=C(N=C3N)N)CC4=CC=CC=C4

InChI

InChI=1S/C20H21N7/c1-2-15(14-8-10-23-11-9-14)27-16(12-13-6-4-3-5-7-13)24-17-18(21)25-20(22)26-19(17)27/h3-11,15H,2,12H2,1H3,(H4,21,22,25,26)