1-ethyl-9-methyl-3-thiophen-2-yl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione

Systemtic Name: 1-ethyl-9-methyl-3-thiophen-2-yl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione Openeye Name: 1-ethyl-9-methyl-3-(2-thienyl)-4H-purino[8,7-c][1,2,4]triazine-6,8-dione CAS Name: 1-ethyl-9-methyl-3-thiophen-2-yl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione IUPAC Name: 1-ethyl-9-methyl-3-thiophen-2-yl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione Traditional Name: 1-ethyl-9-methyl-3-(2-thienyl)-4H-purino[8,7-c][1,2,4]triazine-6,8-quinone Formula: C14H14N6O2S MolecularWeight: 330.36496

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC3=C(N2CC(=N1)C4=CC=CS4)C(=O)NC(=O)N3C

Isomeric SMILES

CCN1C2=NC3=C(N2CC(=N1)C4=CC=CS4)C(=O)NC(=O)N3C

InChI

InChI=1S/C14H14N6O2S/c1-3-20-13-15-11-10(12(21)16-14(22)18(11)2)19(13)7-8(17-20)9-5-4-6-23-9/h4-6H,3,7H2,1-2H3,(H,16,21,22)