6-azanyl-9-(phenylmethyl)-2-(pyridin-3-ylmethyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-9-(phenylmethyl)-2-(pyridin-3-ylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-(3-pyridylmethyl)-7H-purin-8-one CAS Name: 6-amino-9-(phenylmethyl)-2-(3-pyridinylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-(pyridin-3-ylmethyl)-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(3-pyridylmethyl)-7H-purin-8-one Formula: C18H16N6O MolecularWeight: 332.35924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)CC4=CN=CC=C4)N)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)CC4=CN=CC=C4)N)NC2=O

InChI

InChI=1S/C18H16N6O/c19-16-15-17(22-14(21-16)9-13-7-4-8-20-10-13)24(18(25)23-15)11-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,23,25)(H2,19,21,22)