[5-(4-chlorophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl carbamimidothioate

Systemtic Name: [5-(4-chlorophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl carbamimidothioate Openeye Name: 2-[[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]isothiourea CAS Name: carbamimidothioic acid [5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester IUPAC Name: [5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl carbamimidothioate Traditional Name: 2-[[5-(4-chlorophenyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]isothiourea Formula: C14H11ClN4OS2 MolecularWeight: 350.84634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC3=C2C(=O)NC(=N3)CSC(=N)N)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CSC3=C2C(=O)NC(=N3)CSC(=N)N)Cl

InChI

InChI=1S/C14H11ClN4OS2/c15-8-3-1-7(2-4-8)9-5-21-13-11(9)12(20)18-10(19-13)6-22-14(16)17/h1-5H,6H2,(H3,16,17)(H,18,19,20)