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

Systemtic Name: 6-azanyl-2-butoxy-9-[3-[4-(phenylmethyl)piperidin-1-yl]propyl]-7H-purin-8-one Openeye Name: 6-amino-9-[3-(4-benzyl-1-piperidyl)propyl]-2-butoxy-7H-purin-8-one CAS Name: 6-amino-2-butoxy-9-[3-[4-(phenylmethyl)-1-piperidinyl]propyl]-7H-purin-8-one IUPAC Name: 6-amino-9-[3-(4-benzylpiperidin-1-yl)propyl]-2-butoxy-7H-purin-8-one Traditional Name: 6-amino-9-[3-(4-benzylpiperidino)propyl]-2-butoxy-7H-purin-8-one Formula: C24H34N6O2 MolecularWeight: 438.56576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H34N6O2/c1-2-3-16-32-23-27-21(25)20-22(28-23)30(24(31)26-20)13-7-12-29-14-10-19(11-15-29)17-18-8-5-4-6-9-18/h4-6,8-9,19H,2-3,7,10-17H2,1H3,(H,26,31)(H2,25,27,28)