7-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-N-(pyridin-3-ylmethyl)purin-6-amine

Systemtic Name: 7-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-N-(pyridin-3-ylmethyl)purin-6-amine Openeye Name: 7-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-N-(3-pyridylmethyl)purin-6-amine CAS Name: 7-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N-(3-pyridinylmethyl)-6-purinamine IUPAC Name: 7-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)purin-6-amine Traditional Name: [7-[3-(cyclopentoxy)-4-methoxy-benzyl]purin-6-yl]-(3-pyridylmethyl)amine Formula: C24H26N6O2 MolecularWeight: 430.50224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C=NC3=C2C(=NC=N3)NCC4=CN=CC=C4)OC5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C=NC3=C2C(=NC=N3)NCC4=CN=CC=C4)OC5CCCC5

InChI

InChI=1S/C24H26N6O2/c1-31-20-9-8-17(11-21(20)32-19-6-2-3-7-19)14-30-16-29-24-22(30)23(27-15-28-24)26-13-18-5-4-10-25-12-18/h4-5,8-12,15-16,19H,2-3,6-7,13-14H2,1H3,(H,26,27,28)