(4-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-2-yl) N,N-diethyl-N'-phenyl-carbamimidothioate

Systemtic Name: (4-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-2-yl) N,N-diethyl-N'-phenyl-carbamimidothioate Openeye Name: 2-(4-amino-5-cyano-6-methylsulfanyl-pyrimidin-2-yl)-1,1-diethyl-3-phenyl-isothiourea CAS Name: N,N-diethyl-N'-phenylcarbamimidothioic acid [4-amino-5-cyano-6-(methylthio)-2-pyrimidinyl] ester IUPAC Name: (4-amino-5-cyano-6-methylsulfanylpyrimidin-2-yl) N,N-diethyl-N'-phenylcarbamimidothioate Traditional Name: 2-[4-amino-5-cyano-6-(methylthio)pyrimidin-2-yl]-1,1-diethyl-3-phenyl-isothiourea Formula: C17H20N6S2 MolecularWeight: 372.5109

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=NC1=CC=CC=C1)SC2=NC(=C(C(=N2)SC)C#N)N

Isomeric SMILES

CCN(CC)C(=NC1=CC=CC=C1)SC2=NC(=C(C(=N2)SC)C#N)N

InChI

InChI=1S/C17H20N6S2/c1-4-23(5-2)17(20-12-9-7-6-8-10-12)25-16-21-14(19)13(11-18)15(22-16)24-3/h6-10H,4-5H2,1-3H3,(H2,19,21,22)