2-azanyl-6-chloranyl-9-[(4-iodanyl-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-iodanyl-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-iodo-3,5-dimethyl-2-pyridyl)methyl]-7-[2-(2-pyrrol-1-ylethylamino)ethyl]purin-8-one CAS Name: 2-amino-6-chloro-9-[(4-iodo-3,5-dimethyl-2-pyridinyl)methyl]-7-[2-[2-(1-pyrrolyl)ethylamino]ethyl]-8-purinone IUPAC Name: 2-amino-6-chloro-9-[(4-iodo-3,5-dimethylpyridin-2-yl)methyl]-7-[2-(2-pyrrol-1-ylethylamino)ethyl]purin-8-one Traditional Name: 2-amino-6-chloro-9-[(4-iodo-3,5-dimethyl-2-pyridyl)methyl]-7-[2-(2-pyrrol-1-ylethylamino)ethyl]purin-8-one Formula: C21H24ClIN8O MolecularWeight: 566.82573

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1I)C)CN2C3=C(C(=NC(=N3)N)Cl)N(C2=O)CCNCCN4C=CC=C4

Isomeric SMILES

CC1=CN=C(C(=C1I)C)CN2C3=C(C(=NC(=N3)N)Cl)N(C2=O)CCNCCN4C=CC=C4

InChI

InChI=1S/C21H24ClIN8O/c1-13-11-26-15(14(2)16(13)23)12-31-19-17(18(22)27-20(24)28-19)30(21(31)32)10-6-25-5-9-29-7-3-4-8-29/h3-4,7-8,11,25H,5-6,9-10,12H2,1-2H3,(H2,24,27,28)