2-azanyl-6-chloranyl-9-[(3,4,5-trimethyl-1-oxidanyl-2H-pyridin-6-yl)methyl]-7H-purin-8-one

Systemtic Name: 2-azanyl-6-chloranyl-9-[(3,4,5-trimethyl-1-oxidanyl-2H-pyridin-6-yl)methyl]-7H-purin-8-one Openeye Name: 2-amino-6-chloro-9-[(1-hydroxy-3,4,5-trimethyl-2H-pyridin-6-yl)methyl]-7H-purin-8-one CAS Name: 2-amino-6-chloro-9-[(1-hydroxy-3,4,5-trimethyl-2H-pyridin-6-yl)methyl]-7H-purin-8-one IUPAC Name: 2-amino-6-chloro-9-[(1-hydroxy-3,4,5-trimethyl-2H-pyridin-6-yl)methyl]-7H-purin-8-one Traditional Name: 2-amino-6-chloro-9-[(1-hydroxy-3,4,5-trimethyl-2H-pyridin-6-yl)methyl]-7H-purin-8-one Formula: C14H17ClN6O2 MolecularWeight: 336.77678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N(C1)O)CN2C3=C(C(=NC(=N3)N)Cl)NC2=O)C)C

Isomeric SMILES

CC1=C(C(=C(N(C1)O)CN2C3=C(C(=NC(=N3)N)Cl)NC2=O)C)C

InChI

InChI=1S/C14H17ClN6O2/c1-6-4-21(23)9(8(3)7(6)2)5-20-12-10(17-14(20)22)11(15)18-13(16)19-12/h23H,4-5H2,1-3H3,(H,17,22)(H2,16,18,19)