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

Systemtic Name: 2-azanyl-6-chloranyl-9-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]-7-(2-pyridin-2-ylethyl)purin-8-one Openeye Name: 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-7-[2-(2-pyridyl)ethyl]purin-8-one CAS Name: 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-[2-(2-pyridinyl)ethyl]-8-purinone IUPAC Name: 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7-(2-pyridin-2-ylethyl)purin-8-one Traditional Name: 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-7-[2-(2-pyridyl)ethyl]purin-8-one Formula: C21H22ClN7O2 MolecularWeight: 439.89808

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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)CCC4=CC=CC=N4

Isomeric SMILES

CC1=CN=C(C(=C1OC)C)CN2C3=C(C(=NC(=N3)N)Cl)N(C2=O)CCC4=CC=CC=N4

InChI

InChI=1S/C21H22ClN7O2/c1-12-10-25-15(13(2)17(12)31-3)11-29-19-16(18(22)26-20(23)27-19)28(21(29)30)9-7-14-6-4-5-8-24-14/h4-6,8,10H,7,9,11H2,1-3H3,(H2,23,26,27)