2-azanyl-6-chloranyl-9-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]-7-[2-(4-methylpiperazin-1-yl)ethyl]purin-8-one

Systemtic Name: 2-azanyl-6-chloranyl-9-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]-7-[2-(4-methylpiperazin-1-yl)ethyl]purin-8-one Openeye Name: 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-7-[2-(4-methylpiperazin-1-yl)ethyl]purin-8-one CAS Name: 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-[2-(4-methyl-1-piperazinyl)ethyl]-8-purinone IUPAC Name: 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7-[2-(4-methylpiperazin-1-yl)ethyl]purin-8-one Traditional Name: 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-7-[2-(4-methylpiperazino)ethyl]purin-8-one Formula: C21H29ClN8O2 MolecularWeight: 460.96036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OC)C)CN2C3=C(C(=NC(=N3)N)Cl)N(C2=O)CCN4CCN(CC4)C

Isomeric SMILES

CC1=CN=C(C(=C1OC)C)CN2C3=C(C(=NC(=N3)N)Cl)N(C2=O)CCN4CCN(CC4)C

InChI

InChI=1S/C21H29ClN8O2/c1-13-11-24-15(14(2)17(13)32-4)12-30-19-16(18(22)25-20(23)26-19)29(21(30)31)10-9-28-7-5-27(3)6-8-28/h11H,5-10,12H2,1-4H3,(H2,23,25,26)