2-azanyl-6-chloranyl-9-[(3,4,5-trimethylpyridin-2-yl)methyl]-7H-purin-8-one

Systemtic Name: 2-azanyl-6-chloranyl-9-[(3,4,5-trimethylpyridin-2-yl)methyl]-7H-purin-8-one Openeye Name: 2-amino-6-chloro-9-[(3,4,5-trimethyl-2-pyridyl)methyl]-7H-purin-8-one CAS Name: 2-amino-6-chloro-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]-7H-purin-8-one IUPAC Name: 2-amino-6-chloro-9-[(3,4,5-trimethylpyridin-2-yl)methyl]-7H-purin-8-one Traditional Name: 2-amino-6-chloro-9-[(3,4,5-trimethyl-2-pyridyl)methyl]-7H-purin-8-one Formula: C14H15ClN6O MolecularWeight: 318.7615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1C)C)CN2C3=C(C(=NC(=N3)N)Cl)NC2=O

Isomeric SMILES

CC1=CN=C(C(=C1C)C)CN2C3=C(C(=NC(=N3)N)Cl)NC2=O

InChI

InChI=1S/C14H15ClN6O/c1-6-4-17-9(8(3)7(6)2)5-21-12-10(18-14(21)22)11(15)19-13(16)20-12/h4H,5H2,1-3H3,(H,18,22)(H2,16,19,20)