6-azanyl-2-(butylamino)-9-[[6-[4-(dimethylamino)piperidin-1-yl]pyridin-3-yl]methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(butylamino)-9-[[6-[4-(dimethylamino)piperidin-1-yl]pyridin-3-yl]methyl]-7H-purin-8-one Openeye Name: 6-amino-2-(butylamino)-9-[[6-[4-(dimethylamino)-1-piperidyl]-3-pyridyl]methyl]-7H-purin-8-one CAS Name: 6-amino-2-(butylamino)-9-[[6-[4-(dimethylamino)-1-piperidinyl]-3-pyridinyl]methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-(butylamino)-9-[[6-[4-(dimethylamino)piperidin-1-yl]pyridin-3-yl]methyl]-7H-purin-8-one Traditional Name: 6-amino-2-(butylamino)-9-[[6-[4-(dimethylamino)piperidino]-3-pyridyl]methyl]-7H-purin-8-one Formula: C22H33N9O MolecularWeight: 439.55712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CN=C(C=C3)N4CCC(CC4)N(C)C

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CN=C(C=C3)N4CCC(CC4)N(C)C

InChI

InChI=1S/C22H33N9O/c1-4-5-10-24-21-27-19(23)18-20(28-21)31(22(32)26-18)14-15-6-7-17(25-13-15)30-11-8-16(9-12-30)29(2)3/h6-7,13,16H,4-5,8-12,14H2,1-3H3,(H,26,32)(H3,23,24,27,28)