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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl carbamimidothioate Openeye Name: 2-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl]isothiourea CAS Name: carbamimidothioic acid 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl ester IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl carbamimidothioate Traditional Name: 2-[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl]isothiourea Formula: C10H14N6O2S MolecularWeight: 282.32216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N6O2S/c1-14-7-6(8(17)15(2)10(14)18)16(5-13-7)3-4-19-9(11)12/h5H,3-4H2,1-2H3,(H3,11,12)