1,3-dimethyl-6-methylsulfanyl-2,4,8-tris(oxidanylidene)-10H-purino[7,8-a]pyrimidine-7-carbonitrile

Systemtic Name: 1,3-dimethyl-6-methylsulfanyl-2,4,8-tris(oxidanylidene)-10H-purino[7,8-a]pyrimidine-7-carbonitrile Openeye Name: 1,3-dimethyl-6-methylsulfanyl-2,4,8-trioxo-10H-purino[7,8-a]pyrimidine-7-carbonitrile CAS Name: 1,3-dimethyl-6-(methylthio)-2,4,8-trioxo-10H-purino[7,8-a]pyrimidine-7-carbonitrile IUPAC Name: 1,3-dimethyl-6-methylsulfanyl-2,4,8-trioxo-10H-purino[7,8-a]pyrimidine-7-carbonitrile Traditional Name: 2,4,8-triketo-1,3-dimethyl-6-(methylthio)-10H-purino[7,8-a]pyrimidine-7-carbonitrile Formula: C12H10N6O3S MolecularWeight: 318.3112

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C(=C(C(=O)N=C3N2)C#N)SC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C(=C(C(=O)N=C3N2)C#N)SC

InChI

InChI=1S/C12H10N6O3S/c1-16-7-6(9(20)17(2)12(16)21)18-10(22-3)5(4-13)8(19)15-11(18)14-7/h1-3H3,(H,14,15,19)