2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl thiocyanate

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl thiocyanate Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl thiocyanate CAS Name: thiocyanic acid 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl ester IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl thiocyanate Traditional Name: thiocyanic acid 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl ester Formula: C10H11N5O2S MolecularWeight: 265.29164

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC#N

InChI

InChI=1S/C10H11N5O2S/c1-13-8-7(9(16)14(2)10(13)17)15(6-12-8)3-4-18-5-11/h6H,3-4H2,1-2H3