6-azanyl-2-butoxy-9-[3-[(1-methylpiperidin-4-yl)-(phenylmethyl)amino]propyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-butoxy-9-[3-[(1-methylpiperidin-4-yl)-(phenylmethyl)amino]propyl]-7H-purin-8-one Openeye Name: 6-amino-9-[3-[benzyl-(1-methyl-4-piperidyl)amino]propyl]-2-butoxy-7H-purin-8-one CAS Name: 6-amino-2-butoxy-9-[3-[(1-methyl-4-piperidinyl)-(phenylmethyl)amino]propyl]-7H-purin-8-one IUPAC Name: 6-amino-9-[3-[benzyl-(1-methylpiperidin-4-yl)amino]propyl]-2-butoxy-7H-purin-8-one Traditional Name: 6-amino-9-[3-[benzyl-(1-methyl-4-piperidyl)amino]propyl]-2-butoxy-7H-purin-8-one Formula: C25H37N7O2 MolecularWeight: 467.60698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN(CC3=CC=CC=C3)C4CCN(CC4)C

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN(CC3=CC=CC=C3)C4CCN(CC4)C

InChI

InChI=1S/C25H37N7O2/c1-3-4-17-34-24-28-22(26)21-23(29-24)32(25(33)27-21)14-8-13-31(18-19-9-6-5-7-10-19)20-11-15-30(2)16-12-20/h5-7,9-10,20H,3-4,8,11-18H2,1-2H3,(H,27,33)(H2,26,28,29)