3,7,9-trimethyl-1-propan-2-yl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione

Systemtic Name: 3,7,9-trimethyl-1-propan-2-yl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione Openeye Name: 1-isopropyl-3,7,9-trimethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione CAS Name: 3,7,9-trimethyl-1-propan-2-yl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione IUPAC Name: 3,7,9-trimethyl-1-propan-2-yl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione Traditional Name: 1-isopropyl-3,7,9-trimethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-quinone Formula: C13H18N6O2 MolecularWeight: 290.32102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)C)C(C)C

Isomeric SMILES

CC1=NN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)C)C(C)C

InChI

InChI=1S/C13H18N6O2/c1-7(2)19-12-14-10-9(18(12)6-8(3)15-19)11(20)17(5)13(21)16(10)4/h7H,6H2,1-5H3