9-[methoxy(phenyl)methyl]-6,8-dimethyl-N-(pyridin-4-ylmethyl)purin-2-amine

Systemtic Name: 9-[methoxy(phenyl)methyl]-6,8-dimethyl-N-(pyridin-4-ylmethyl)purin-2-amine Openeye Name: 9-[methoxy(phenyl)methyl]-6,8-dimethyl-N-(4-pyridylmethyl)purin-2-amine CAS Name: 9-[methoxy(phenyl)methyl]-6,8-dimethyl-N-(pyridin-4-ylmethyl)-2-purinamine IUPAC Name: 9-[methoxy(phenyl)methyl]-6,8-dimethyl-N-(pyridin-4-ylmethyl)purin-2-amine Traditional Name: [9-[methoxy(phenyl)methyl]-6,8-dimethyl-purin-2-yl]-(4-pyridylmethyl)amine Formula: C21H22N6O MolecularWeight: 374.43898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=N1)NCC3=CC=NC=C3)N(C(=N2)C)C(C4=CC=CC=C4)OC

Isomeric SMILES

CC1=C2C(=NC(=N1)NCC3=CC=NC=C3)N(C(=N2)C)C(C4=CC=CC=C4)OC

InChI

InChI=1S/C21H22N6O/c1-14-18-19(26-21(24-14)23-13-16-9-11-22-12-10-16)27(15(2)25-18)20(28-3)17-7-5-4-6-8-17/h4-12,20H,13H2,1-3H3,(H,23,24,26)