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

Systemtic Name: 3,7,9-trimethyl-1-phenethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione Openeye Name: 3,7,9-trimethyl-1-phenethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione CAS Name: 3,7,9-trimethyl-1-phenethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione IUPAC Name: 3,7,9-trimethyl-1-phenethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione Traditional Name: 3,7,9-trimethyl-1-phenethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-quinone Formula: C18H20N6O2 MolecularWeight: 352.3904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)C)CCC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)C)CCC4=CC=CC=C4

InChI

InChI=1S/C18H20N6O2/c1-12-11-23-14-15(21(2)18(26)22(3)16(14)25)19-17(23)24(20-12)10-9-13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3