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

Systemtic Name: 2-(3-oxidanylpropylamino)-7-(phenylmethyl)-1-propyl-purin-6-one Openeye Name: 7-benzyl-2-(3-hydroxypropylamino)-1-propyl-purin-6-one CAS Name: 2-(3-hydroxypropylamino)-7-(phenylmethyl)-1-propyl-6-purinone IUPAC Name: 7-benzyl-2-(3-hydroxypropylamino)-1-propylpurin-6-one Traditional Name: 7-benzyl-2-(3-hydroxypropylamino)-1-propyl-purin-6-one Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N=C1NCCCO

Isomeric SMILES

CCCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N=C1NCCCO

InChI

InChI=1S/C18H23N5O2/c1-2-10-23-17(25)15-16(21-18(23)19-9-6-11-24)20-13-22(15)12-14-7-4-3-5-8-14/h3-5,7-8,13,24H,2,6,9-12H2,1H3,(H,19,21)