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

Systemtic Name: 8-azanyl-1,3-dimethyl-6-methylsulfanyl-2,4-bis(oxidanylidene)purino[7,8-a]pyrimidine-7-carbonitrile Openeye Name: 8-amino-1,3-dimethyl-6-methylsulfanyl-2,4-dioxo-purino[7,8-a]pyrimidine-7-carbonitrile CAS Name: 8-amino-1,3-dimethyl-6-(methylthio)-2,4-dioxo-7-purino[7,8-a]pyrimidinecarbonitrile IUPAC Name: 8-amino-1,3-dimethyl-6-methylsulfanyl-2,4-dioxopurino[7,8-a]pyrimidine-7-carbonitrile Traditional Name: 8-amino-2,4-diketo-1,3-dimethyl-6-(methylthio)purino[7,8-a]pyrimidine-7-carbonitrile Formula: C12H11N7O2S MolecularWeight: 317.32644

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C(=C(C(=NC3=N2)N)C#N)SC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C(=C(C(=NC3=N2)N)C#N)SC

InChI

InChI=1S/C12H11N7O2S/c1-17-8-6(9(20)18(2)12(17)21)19-10(22-3)5(4-13)7(14)15-11(19)16-8/h1-3H3,(H2,14,15,16)