4-(3-cyclopentyloxy-4-methoxy-phenyl)-3-(6,8-dimethyl-7H-purin-2-yl)-3-pyridin-2-yl-butanal

Systemtic Name: 4-(3-cyclopentyloxy-4-methoxy-phenyl)-3-(6,8-dimethyl-7H-purin-2-yl)-3-pyridin-2-yl-butanal Openeye Name: 4-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-(6,8-dimethyl-7H-purin-2-yl)-3-(2-pyridyl)butanal CAS Name: 4-(3-cyclopentyloxy-4-methoxyphenyl)-3-(6,8-dimethyl-7H-purin-2-yl)-3-(2-pyridinyl)butanal IUPAC Name: 4-(3-cyclopentyloxy-4-methoxyphenyl)-3-(6,8-dimethyl-7H-purin-2-yl)-3-pyridin-2-ylbutanal Traditional Name: 4-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-(6,8-dimethyl-7H-purin-2-yl)-3-(2-pyridyl)butyraldehyde Formula: C28H31N5O3 MolecularWeight: 485.57744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=N1)C(CC=O)(CC3=CC(=C(C=C3)OC)OC4CCCC4)C5=CC=CC=N5)N=C(N2)C

Isomeric SMILES

CC1=C2C(=NC(=N1)C(CC=O)(CC3=CC(=C(C=C3)OC)OC4CCCC4)C5=CC=CC=N5)N=C(N2)C

InChI

InChI=1S/C28H31N5O3/c1-18-25-26(32-19(2)31-25)33-27(30-18)28(13-15-34,24-10-6-7-14-29-24)17-20-11-12-22(35-3)23(16-20)36-21-8-4-5-9-21/h6-7,10-12,14-16,21H,4-5,8-9,13,17H2,1-3H3,(H,30,31,32,33)