6-azanyl-2-(butylamino)-9-[[5-chloranyl-6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(butylamino)-9-[[5-chloranyl-6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-7H-purin-8-one Openeye Name: 6-amino-2-(butylamino)-9-[[5-chloro-6-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]-7H-purin-8-one CAS Name: 6-amino-2-(butylamino)-9-[[5-chloro-6-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-(butylamino)-9-[[5-chloro-6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-7H-purin-8-one Traditional Name: 6-amino-2-(butylamino)-9-[[5-chloro-6-(4-methylpiperazino)-3-pyridyl]methyl]-7H-purin-8-one Formula: C20H28ClN9O MolecularWeight: 445.94902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=C(N=C3)N4CCN(CC4)C)Cl

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=C(N=C3)N4CCN(CC4)C)Cl

InChI

InChI=1S/C20H28ClN9O/c1-3-4-5-23-19-26-16(22)15-18(27-19)30(20(31)25-15)12-13-10-14(21)17(24-11-13)29-8-6-28(2)7-9-29/h10-11H,3-9,12H2,1-2H3,(H,25,31)(H3,22,23,26,27)