3-[(3,4-dimethoxyphenyl)methyl]-8-[1-[(4-methylphenyl)methoxy]propan-2-yl]purin-6-amine

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methyl]-8-[1-[(4-methylphenyl)methoxy]propan-2-yl]purin-6-amine Openeye Name: 3-[(3,4-dimethoxyphenyl)methyl]-8-[1-methyl-2-(p-tolylmethoxy)ethyl]purin-6-amine CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-8-[1-[(4-methylphenyl)methoxy]propan-2-yl]-6-purinamine IUPAC Name: 3-[(3,4-dimethoxyphenyl)methyl]-8-[1-[(4-methylphenyl)methoxy]propan-2-yl]purin-6-amine Traditional Name: [8-[1-methyl-2-(4-methylbenzyl)oxy-ethyl]-3-veratryl-purin-6-yl]amine Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COCC(C)C2=NC3=C(N=CN(C3=N2)CC4=CC(=C(C=C4)OC)OC)N

Isomeric SMILES

CC1=CC=C(C=C1)COCC(C)C2=NC3=C(N=CN(C3=N2)CC4=CC(=C(C=C4)OC)OC)N

InChI

InChI=1S/C25H29N5O3/c1-16-5-7-18(8-6-16)14-33-13-17(2)24-28-22-23(26)27-15-30(25(22)29-24)12-19-9-10-20(31-3)21(11-19)32-4/h5-11,15,17H,12-14,26H2,1-4H3