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

Systemtic Name: 2-phenylazanyl-9-[4-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butyl]-3H-purin-6-one Openeye Name: 2-anilino-9-[4-[2-(1-piperidylmethyl)pyrrolidin-1-yl]butyl]-3H-purin-6-one CAS Name: 2-anilino-9-[4-[2-(1-piperidinylmethyl)-1-pyrrolidinyl]butyl]-3H-purin-6-one IUPAC Name: 2-anilino-9-[4-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butyl]-3H-purin-6-one Traditional Name: 2-anilino-9-[4-[2-(piperidinomethyl)pyrrolidino]butyl]-3H-purin-6-one Formula: C25H35N7O MolecularWeight: 449.5917

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2CCCN2CCCCN3C=NC4=C3NC(=NC4=O)NC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)CC2CCCN2CCCCN3C=NC4=C3NC(=NC4=O)NC5=CC=CC=C5

InChI

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