3-[(2-azanyl-6-chloranyl-purin-9-yl)methyl]-1-ethyl-5,5-dimethyl-4,6-dihydroindazol-7-one

Systemtic Name: 3-[(2-azanyl-6-chloranyl-purin-9-yl)methyl]-1-ethyl-5,5-dimethyl-4,6-dihydroindazol-7-one Openeye Name: 3-[(2-amino-6-chloro-purin-9-yl)methyl]-1-ethyl-5,5-dimethyl-4,6-dihydroindazol-7-one CAS Name: 3-[(2-amino-6-chloro-9-purinyl)methyl]-1-ethyl-5,5-dimethyl-4,6-dihydroindazol-7-one IUPAC Name: 3-[(2-amino-6-chloropurin-9-yl)methyl]-1-ethyl-5,5-dimethyl-4,6-dihydroindazol-7-one Traditional Name: 3-[(2-amino-6-chloro-purin-9-yl)methyl]-1-ethyl-5,5-dimethyl-4,6-dihydroindazol-7-one Formula: C17H20ClN7O MolecularWeight: 373.84

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2=O)(C)C)C(=N1)CN3C=NC4=C3N=C(N=C4Cl)N

Isomeric SMILES

CCN1C2=C(CC(CC2=O)(C)C)C(=N1)CN3C=NC4=C3N=C(N=C4Cl)N

InChI

InChI=1S/C17H20ClN7O/c1-4-25-13-9(5-17(2,3)6-11(13)26)10(23-25)7-24-8-20-12-14(18)21-16(19)22-15(12)24/h8H,4-7H2,1-3H3,(H2,19,21,22)