6-azanyl-2-butoxy-1-methyl-9-[1-[3-[(phenylmethyl)amino]propyl]piperidin-4-yl]-6,7-dihydropurin-8-one

Systemtic Name: 6-azanyl-2-butoxy-1-methyl-9-[1-[3-[(phenylmethyl)amino]propyl]piperidin-4-yl]-6,7-dihydropurin-8-one Openeye Name: 6-amino-9-[1-[3-(benzylamino)propyl]-4-piperidyl]-2-butoxy-1-methyl-6,7-dihydropurin-8-one CAS Name: 6-amino-2-butoxy-1-methyl-9-[1-[3-[(phenylmethyl)amino]propyl]-4-piperidinyl]-6,7-dihydropurin-8-one IUPAC Name: 6-amino-9-[1-[3-(benzylamino)propyl]piperidin-4-yl]-2-butoxy-1-methyl-6,7-dihydropurin-8-one Traditional Name: 6-amino-9-[1-[3-(benzylamino)propyl]-4-piperidyl]-2-butoxy-1-methyl-6,7-dihydropurin-8-one Formula: C25H39N7O2 MolecularWeight: 469.62286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(N1C)N)NC(=O)N2C3CCN(CC3)CCCNCC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=NC2=C(C(N1C)N)NC(=O)N2C3CCN(CC3)CCCNCC4=CC=CC=C4

InChI

InChI=1S/C25H39N7O2/c1-3-4-17-34-25-29-23-21(22(26)30(25)2)28-24(33)32(23)20-11-15-31(16-12-20)14-8-13-27-18-19-9-6-5-7-10-19/h5-7,9-10,20,22,27H,3-4,8,11-18,26H2,1-2H3,(H,28,33)