1,8-dimethyl-2-[oxidanyl(pentyl)amino]-7-(phenylmethyl)purin-6-one

Systemtic Name: 1,8-dimethyl-2-[oxidanyl(pentyl)amino]-7-(phenylmethyl)purin-6-one Openeye Name: 7-benzyl-2-[hydroxy(pentyl)amino]-1,8-dimethyl-purin-6-one CAS Name: 2-[hydroxy(pentyl)amino]-1,8-dimethyl-7-(phenylmethyl)-6-purinone IUPAC Name: 7-benzyl-2-[hydroxy(pentyl)amino]-1,8-dimethylpurin-6-one Traditional Name: 2-[amyl(hydroxy)amino]-7-benzyl-1,8-dimethyl-purin-6-one Formula: C19H25N5O2 MolecularWeight: 355.4341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=NC2=C(C(=O)N1C)N(C(=N2)C)CC3=CC=CC=C3)O

Isomeric SMILES

CCCCCN(C1=NC2=C(C(=O)N1C)N(C(=N2)C)CC3=CC=CC=C3)O

InChI

InChI=1S/C19H25N5O2/c1-4-5-9-12-24(26)19-21-17-16(18(25)22(19)3)23(14(2)20-17)13-15-10-7-6-8-11-15/h6-8,10-11,26H,4-5,9,12-13H2,1-3H3