1-methyl-2-(3-oxidanylpropylamino)-7-(phenylmethyl)purin-6-one

Systemtic Name: 1-methyl-2-(3-oxidanylpropylamino)-7-(phenylmethyl)purin-6-one Openeye Name: 7-benzyl-2-(3-hydroxypropylamino)-1-methyl-purin-6-one CAS Name: 2-(3-hydroxypropylamino)-1-methyl-7-(phenylmethyl)-6-purinone IUPAC Name: 7-benzyl-2-(3-hydroxypropylamino)-1-methylpurin-6-one Traditional Name: 7-benzyl-2-(3-hydroxypropylamino)-1-methyl-purin-6-one Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N=C1NCCCO

Isomeric SMILES

CN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N=C1NCCCO

InChI

InChI=1S/C16H19N5O2/c1-20-15(23)13-14(19-16(20)17-8-5-9-22)18-11-21(13)10-12-6-3-2-4-7-12/h2-4,6-7,11,22H,5,8-10H2,1H3,(H,17,19)