(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl N'-tert-butylcarbamimidothioate

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl N'-tert-butylcarbamimidothioate Openeye Name: 3-tert-butyl-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]isothiourea CAS Name: N'-tert-butylcarbamimidothioic acid (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl N'-tert-butylcarbamimidothioate Traditional Name: 3-tert-butyl-2-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]isothiourea Formula: C18H20N4OS2 MolecularWeight: 372.5076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C(N)SCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

Isomeric SMILES

CC(C)(C)N=C(N)SCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

InChI

InChI=1S/C18H20N4OS2/c1-18(2,3)22-17(19)25-10-13-20-15(23)14-12(9-24-16(14)21-13)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H2,19,22)(H,20,21,23)