3-[9-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-6,8-dimethyl-purin-2-yl]-3-pyridin-4-yl-propanal

Systemtic Name: 3-[9-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-6,8-dimethyl-purin-2-yl]-3-pyridin-4-yl-propanal Openeye Name: 3-[9-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-6,8-dimethyl-purin-2-yl]-3-(4-pyridyl)propanal CAS Name: 3-[9-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-6,8-dimethyl-2-purinyl]-3-pyridin-4-ylpropanal IUPAC Name: 3-[9-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-6,8-dimethylpurin-2-yl]-3-pyridin-4-ylpropanal Traditional Name: 3-[9-[3-(cyclopentoxy)-4-methoxy-benzyl]-6,8-dimethyl-purin-2-yl]-3-(4-pyridyl)propionaldehyde Formula: C28H31N5O3 MolecularWeight: 485.57744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=N1)C(CC=O)C3=CC=NC=C3)N(C(=N2)C)CC4=CC(=C(C=C4)OC)OC5CCCC5

Isomeric SMILES

CC1=C2C(=NC(=N1)C(CC=O)C3=CC=NC=C3)N(C(=N2)C)CC4=CC(=C(C=C4)OC)OC5CCCC5

InChI

InChI=1S/C28H31N5O3/c1-18-26-28(32-27(30-18)23(12-15-34)21-10-13-29-14-11-21)33(19(2)31-26)17-20-8-9-24(35-3)25(16-20)36-22-6-4-5-7-22/h8-11,13-16,22-23H,4-7,12,17H2,1-3H3