1-[6-azanyl-9-(4-methylpent-3-enyl)purin-8-yl]-3,6,6-trimethyl-5,7-dihydroindazol-4-one

Systemtic Name: 1-[6-azanyl-9-(4-methylpent-3-enyl)purin-8-yl]-3,6,6-trimethyl-5,7-dihydroindazol-4-one Openeye Name: 1-[6-amino-9-(4-methylpent-3-enyl)purin-8-yl]-3,6,6-trimethyl-5,7-dihydroindazol-4-one CAS Name: 1-[6-amino-9-(4-methylpent-3-enyl)-8-purinyl]-3,6,6-trimethyl-5,7-dihydroindazol-4-one IUPAC Name: 1-[6-amino-9-(4-methylpent-3-enyl)purin-8-yl]-3,6,6-trimethyl-5,7-dihydroindazol-4-one Traditional Name: 1-[6-amino-9-(4-methylpent-3-enyl)purin-8-yl]-3,6,6-trimethyl-5,7-dihydroindazol-4-one Formula: C21H27N7O MolecularWeight: 393.48538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=NC4=C(N3CCC=C(C)C)N=CN=C4N

Isomeric SMILES

CC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=NC4=C(N3CCC=C(C)C)N=CN=C4N

InChI

InChI=1S/C21H27N7O/c1-12(2)7-6-8-27-19-17(18(22)23-11-24-19)25-20(27)28-14-9-21(4,5)10-15(29)16(14)13(3)26-28/h7,11H,6,8-10H2,1-5H3,(H2,22,23,24)