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

Systemtic Name: 6-azanyl-2-butoxy-3-[1-(3-phenylpropyl)piperidin-4-yl]-9-propyl-4,7-dihydropurin-8-one Openeye Name: 6-amino-2-butoxy-3-[1-(3-phenylpropyl)-4-piperidyl]-9-propyl-4,7-dihydropurin-8-one CAS Name: 6-amino-2-butoxy-3-[1-(3-phenylpropyl)-4-piperidinyl]-9-propyl-4,7-dihydropurin-8-one IUPAC Name: 6-amino-2-butoxy-3-[1-(3-phenylpropyl)piperidin-4-yl]-9-propyl-4,7-dihydropurin-8-one Traditional Name: 6-amino-2-butoxy-3-[1-(3-phenylpropyl)-4-piperidyl]-9-propyl-4,7-dihydropurin-8-one Formula: C26H40N6O2 MolecularWeight: 468.6348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC(=C2C(N1C3CCN(CC3)CCCC4=CC=CC=C4)N(C(=O)N2)CCC)N

Isomeric SMILES

CCCCOC1=NC(=C2C(N1C3CCN(CC3)CCCC4=CC=CC=C4)N(C(=O)N2)CCC)N

InChI

InChI=1S/C26H40N6O2/c1-3-5-19-34-26-29-23(27)22-24(31(15-4-2)25(33)28-22)32(26)21-13-17-30(18-14-21)16-9-12-20-10-7-6-8-11-20/h6-8,10-11,21,24H,3-5,9,12-19,27H2,1-2H3,(H,28,33)