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

Systemtic Name: 2-azanyl-6-chloranyl-9-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]-7-[2-(3-pyrrol-1-ylpropylamino)ethyl]purin-8-one Openeye Name: 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-7-[2-(3-pyrrol-1-ylpropylamino)ethyl]purin-8-one CAS Name: 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-[2-[3-(1-pyrrolyl)propylamino]ethyl]-8-purinone IUPAC Name: 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7-[2-(3-pyrrol-1-ylpropylamino)ethyl]purin-8-one Traditional Name: 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-7-[2-(3-pyrrol-1-ylpropylamino)ethyl]purin-8-one Formula: C23H29ClN8O2 MolecularWeight: 484.98176

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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)CCNCCCN4C=CC=C4

Isomeric SMILES

CC1=CN=C(C(=C1OC)C)CN2C3=C(C(=NC(=N3)N)Cl)N(C2=O)CCNCCCN4C=CC=C4

InChI

InChI=1S/C23H29ClN8O2/c1-15-13-27-17(16(2)19(15)34-3)14-32-21-18(20(24)28-22(25)29-21)31(23(32)33)12-8-26-7-6-11-30-9-4-5-10-30/h4-5,9-10,13,26H,6-8,11-12,14H2,1-3H3,(H2,25,28,29)