7-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-6,8-dimethyl-2-(2-pyridin-4-ylethoxy)purine

Systemtic Name: 7-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-6,8-dimethyl-2-(2-pyridin-4-ylethoxy)purine Openeye Name: 7-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-6,8-dimethyl-2-[2-(4-pyridyl)ethoxy]purine CAS Name: 7-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-6,8-dimethyl-2-(2-pyridin-4-ylethoxy)purine IUPAC Name: 7-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-6,8-dimethyl-2-(2-pyridin-4-ylethoxy)purine Traditional Name: 7-[3-(cyclopentoxy)-4-methoxy-benzyl]-6,8-dimethyl-2-[2-(4-pyridyl)ethoxy]purine Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=N1)OCCC3=CC=NC=C3)N=C(N2CC4=CC(=C(C=C4)OC)OC5CCCC5)C

Isomeric SMILES

CC1=C2C(=NC(=N1)OCCC3=CC=NC=C3)N=C(N2CC4=CC(=C(C=C4)OC)OC5CCCC5)C

InChI

InChI=1S/C27H31N5O3/c1-18-25-26(31-27(29-18)34-15-12-20-10-13-28-14-11-20)30-19(2)32(25)17-21-8-9-23(33-3)24(16-21)35-22-6-4-5-7-22/h8-11,13-14,16,22H,4-7,12,15,17H2,1-3H3