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

Systemtic Name: 2-azanyl-6-chloranyl-9-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]-7-[2-(2-pyrrol-1-ylethylamino)ethyl]purin-8-one Openeye Name: 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-7-[2-(2-pyrrol-1-ylethylamino)ethyl]purin-8-one CAS Name: 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-[2-[2-(1-pyrrolyl)ethylamino]ethyl]-8-purinone IUPAC Name: 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7-[2-(2-pyrrol-1-ylethylamino)ethyl]purin-8-one Traditional Name: 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-7-[2-(2-pyrrol-1-ylethylamino)ethyl]purin-8-one Formula: C22H27ClN8O2 MolecularWeight: 470.95518

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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)CCNCCN4C=CC=C4

Isomeric SMILES

CC1=CN=C(C(=C1OC)C)CN2C3=C(C(=NC(=N3)N)Cl)N(C2=O)CCNCCN4C=CC=C4

InChI

InChI=1S/C22H27ClN8O2/c1-14-12-26-16(15(2)18(14)33-3)13-31-20-17(19(23)27-21(24)28-20)30(22(31)32)11-7-25-6-10-29-8-4-5-9-29/h4-5,8-9,12,25H,6-7,10-11,13H2,1-3H3,(H2,24,27,28)