1-ethyl-9-methyl-3-propyl-8-sulfanylidene-7H-purine-2,6-dione

Systemtic Name: 1-ethyl-9-methyl-3-propyl-8-sulfanylidene-7H-purine-2,6-dione Openeye Name: 1-ethyl-9-methyl-3-propyl-8-thioxo-7H-purine-2,6-dione CAS Name: 1-ethyl-9-methyl-3-propyl-8-sulfanylidene-7H-purine-2,6-dione IUPAC Name: 1-ethyl-9-methyl-3-propyl-8-sulfanylidene-7H-purine-2,6-dione Traditional Name: 1-ethyl-9-methyl-3-propyl-8-thioxo-7H-purine-2,6-quinone Formula: C11H16N4O2S MolecularWeight: 268.33534

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC)NC(=S)N2C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC)NC(=S)N2C

InChI

InChI=1S/C11H16N4O2S/c1-4-6-15-8-7(12-10(18)13(8)3)9(16)14(5-2)11(15)17/h4-6H2,1-3H3,(H,12,18)