2-phenylazanyl-9-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]-3H-purin-6-one

Systemtic Name: 2-phenylazanyl-9-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]-3H-purin-6-one Openeye Name: 2-anilino-9-[4-[4-(1-piperidyl)-1-piperidyl]butyl]-3H-purin-6-one CAS Name: 2-anilino-9-[4-[4-(1-piperidinyl)-1-piperidinyl]butyl]-3H-purin-6-one IUPAC Name: 2-anilino-9-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]-3H-purin-6-one Traditional Name: 2-anilino-9-[4-(4-piperidinopiperidino)butyl]-3H-purin-6-one Formula: C25H35N7O MolecularWeight: 449.5917

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)CCCCN3C=NC4=C3NC(=NC4=O)NC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)CCCCN3C=NC4=C3NC(=NC4=O)NC5=CC=CC=C5

InChI

InChI=1S/C25H35N7O/c33-24-22-23(28-25(29-24)27-20-9-3-1-4-10-20)32(19-26-22)16-8-7-13-30-17-11-21(12-18-30)31-14-5-2-6-15-31/h1,3-4,9-10,19,21H,2,5-8,11-18H2,(H2,27,28,29,33)