2-(6-azanylidene-9-ethyl-purin-1-yl)ethyl carbamimidothioate

Systemtic Name: 2-(6-azanylidene-9-ethyl-purin-1-yl)ethyl carbamimidothioate Openeye Name: 2-[2-(9-ethyl-6-imino-purin-1-yl)ethyl]isothiourea CAS Name: carbamimidothioic acid 2-(9-ethyl-6-imino-1-purinyl)ethyl ester IUPAC Name: 2-(9-ethyl-6-iminopurin-1-yl)ethyl carbamimidothioate Traditional Name: 2-[2-(9-ethyl-6-imino-purin-1-yl)ethyl]isothiourea Formula: C10H15N7S MolecularWeight: 265.338

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=CN(C2=N)CCSC(=N)N

Isomeric SMILES

CCN1C=NC2=C1N=CN(C2=N)CCSC(=N)N

InChI

InChI=1S/C10H15N7S/c1-2-16-5-14-7-8(11)17(6-15-9(7)16)3-4-18-10(12)13/h5-6,11H,2-4H2,1H3,(H3,12,13)