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

Systemtic Name: 6-azanyl-2-(butylamino)-9-[[6-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-3-yl]methyl]-7H-purin-8-one Openeye Name: 6-amino-2-(butylamino)-9-[[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridyl]methyl]-7H-purin-8-one CAS Name: 6-amino-2-(butylamino)-9-[[6-[3-(dimethylamino)-1-pyrrolidinyl]-3-pyridinyl]methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-(butylamino)-9-[[6-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-3-yl]methyl]-7H-purin-8-one Traditional Name: 6-amino-2-(butylamino)-9-[[6-[3-(dimethylamino)pyrrolidino]-3-pyridyl]methyl]-7H-purin-8-one Formula: C21H31N9O MolecularWeight: 425.53054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CN=C(C=C3)N4CCC(C4)N(C)C

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CN=C(C=C3)N4CCC(C4)N(C)C

InChI

InChI=1S/C21H31N9O/c1-4-5-9-23-20-26-18(22)17-19(27-20)30(21(31)25-17)12-14-6-7-16(24-11-14)29-10-8-15(13-29)28(2)3/h6-7,11,15H,4-5,8-10,12-13H2,1-3H3,(H,25,31)(H3,22,23,26,27)