4-[6-azanyl-9-[(4-methoxyphenyl)methyl]purin-8-yl]benzamide

Systemtic Name: 4-[6-azanyl-9-[(4-methoxyphenyl)methyl]purin-8-yl]benzamide Openeye Name: 4-[6-amino-9-[(4-methoxyphenyl)methyl]purin-8-yl]benzamide CAS Name: 4-[6-amino-9-[(4-methoxyphenyl)methyl]-8-purinyl]benzamide IUPAC Name: 4-[6-amino-9-[(4-methoxyphenyl)methyl]purin-8-yl]benzamide Traditional Name: 4-(6-amino-9-p-anisyl-purin-8-yl)benzamide Formula: C20H18N6O2 MolecularWeight: 374.39592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N)N=C2C4=CC=C(C=C4)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N)N=C2C4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C20H18N6O2/c1-28-15-8-2-12(3-9-15)10-26-19(14-6-4-13(5-7-14)18(22)27)25-16-17(21)23-11-24-20(16)26/h2-9,11H,10H2,1H3,(H2,22,27)(H2,21,23,24)