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

Systemtic Name: 2-azanyl-6-chloranyl-9-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]-7-(3-pyrrol-1-ylpropyl)purin-8-one Openeye Name: 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-7-(3-pyrrol-1-ylpropyl)purin-8-one CAS Name: 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-[3-(1-pyrrolyl)propyl]-8-purinone IUPAC Name: 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7-(3-pyrrol-1-ylpropyl)purin-8-one Traditional Name: 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-7-(3-pyrrol-1-ylpropyl)purin-8-one Formula: C21H24ClN7O2 MolecularWeight: 441.91396

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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)CCCN4C=CC=C4

Isomeric SMILES

CC1=CN=C(C(=C1OC)C)CN2C3=C(C(=NC(=N3)N)Cl)N(C2=O)CCCN4C=CC=C4

InChI

InChI=1S/C21H24ClN7O2/c1-13-11-24-15(14(2)17(13)31-3)12-29-19-16(18(22)25-20(23)26-19)28(21(29)30)10-6-9-27-7-4-5-8-27/h4-5,7-8,11H,6,9-10,12H2,1-3H3,(H2,23,25,26)