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

Systemtic Name: 6-azanyl-2-butoxy-9-[3-[1-(2-phenoxyethyl)piperidin-4-yl]propyl]-7H-purin-8-one Openeye Name: 6-amino-2-butoxy-9-[3-[1-(2-phenoxyethyl)-4-piperidyl]propyl]-7H-purin-8-one CAS Name: 6-amino-2-butoxy-9-[3-[1-(2-phenoxyethyl)-4-piperidinyl]propyl]-7H-purin-8-one IUPAC Name: 6-amino-2-butoxy-9-[3-[1-(2-phenoxyethyl)piperidin-4-yl]propyl]-7H-purin-8-one Traditional Name: 6-amino-2-butoxy-9-[3-[1-(2-phenoxyethyl)-4-piperidyl]propyl]-7H-purin-8-one Formula: C25H36N6O3 MolecularWeight: 468.59174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCC3CCN(CC3)CCOC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCC3CCN(CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C25H36N6O3/c1-2-3-17-34-24-28-22(26)21-23(29-24)31(25(32)27-21)13-7-8-19-11-14-30(15-12-19)16-18-33-20-9-5-4-6-10-20/h4-6,9-10,19H,2-3,7-8,11-18H2,1H3,(H,27,32)(H2,26,28,29)