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

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl N'-propan-2-ylcarbamimidothioate Openeye Name: 3-isopropyl-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]isothiourea CAS Name: N'-propan-2-ylcarbamimidothioic 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'-propan-2-ylcarbamimidothioate Traditional Name: 3-isopropyl-2-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]isothiourea Formula: C17H18N4OS2 MolecularWeight: 358.48102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4OS2/c1-10(2)19-17(18)24-9-13-20-15(22)14-12(8-23-16(14)21-13)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H2,18,19)(H,20,21,22)