6-azanyl-9-(phenylmethyl)-2-(pyridin-4-ylmethylamino)-7H-purin-8-one

Systemtic Name: 6-azanyl-9-(phenylmethyl)-2-(pyridin-4-ylmethylamino)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-(4-pyridylmethylamino)-7H-purin-8-one CAS Name: 6-amino-9-(phenylmethyl)-2-(pyridin-4-ylmethylamino)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-(pyridin-4-ylmethylamino)-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(4-pyridylmethylamino)-7H-purin-8-one Formula: C18H17N7O MolecularWeight: 347.37388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)NCC4=CC=NC=C4)N)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)NCC4=CC=NC=C4)N)NC2=O

InChI

InChI=1S/C18H17N7O/c19-15-14-16(24-17(23-15)21-10-12-6-8-20-9-7-12)25(18(26)22-14)11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,22,26)(H3,19,21,23,24)