3-ethyl-1-methyl-6,7,8,9-tetrahydropurino[8,7-b][1,3]thiazepine-2,4-dione

Systemtic Name: 3-ethyl-1-methyl-6,7,8,9-tetrahydropurino[8,7-b][1,3]thiazepine-2,4-dione Openeye Name: 3-ethyl-1-methyl-6,7,8,9-tetrahydropurino[8,7-b][1,3]thiazepine-2,4-dione CAS Name: 3-ethyl-1-methyl-6,7,8,9-tetrahydropurino[8,7-b][1,3]thiazepine-2,4-dione IUPAC Name: 3-ethyl-1-methyl-6,7,8,9-tetrahydropurino[8,7-b][1,3]thiazepine-2,4-dione Traditional Name: 3-ethyl-1-methyl-6,7,8,9-tetrahydropurino[8,7-b][1,3]thiazepine-2,4-quinone Formula: C12H16N4O2S MolecularWeight: 280.34604

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C3N2CCCCS3)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C3N2CCCCS3)N(C1=O)C

InChI

InChI=1S/C12H16N4O2S/c1-3-15-10(17)8-9(14(2)12(15)18)13-11-16(8)6-4-5-7-19-11/h3-7H2,1-2H3