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

Systemtic Name: 2-[9-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-6,8-dimethyl-purin-2-yl]-2-pyridin-4-yl-ethanal Openeye Name: 2-[9-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-6,8-dimethyl-purin-2-yl]-2-(4-pyridyl)acetaldehyde CAS Name: 2-[9-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-6,8-dimethyl-2-purinyl]-2-pyridin-4-ylacetaldehyde IUPAC Name: 2-[9-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-6,8-dimethylpurin-2-yl]-2-pyridin-4-ylacetaldehyde Traditional Name: 2-[9-[3-(cyclopentoxy)-4-methoxy-benzyl]-6,8-dimethyl-purin-2-yl]-2-(4-pyridyl)acetaldehyde Formula: C27H29N5O3 MolecularWeight: 471.55086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5O3/c1-17-25-27(31-26(29-17)22(16-33)20-10-12-28-13-11-20)32(18(2)30-25)15-19-8-9-23(34-3)24(14-19)35-21-6-4-5-7-21/h8-14,16,21-22H,4-7,15H2,1-3H3