(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl N'-cyclopentyl-N-(4-methoxyphenyl)carbamimidothioate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl N'-cyclopentyl-N-(4-methoxyphenyl)carbamimidothioate Openeye Name: 3-cyclopentyl-1-(4-methoxyphenyl)-2-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]isothiourea CAS Name: N'-cyclopentyl-N-(4-methoxyphenyl)carbamimidothioic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl N'-cyclopentyl-N-(4-methoxyphenyl)carbamimidothioate Traditional Name: 3-cyclopentyl-2-[(4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1-(4-methoxyphenyl)isothiourea Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=NC2CCCC2)SCC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=NC2CCCC2)SCC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C20H22N4O2S2/c1-26-15-8-6-14(7-9-15)22-20(21-13-4-2-3-5-13)28-12-17-23-16-10-11-27-18(16)19(25)24-17/h6-11,13H,2-5,12H2,1H3,(H,21,22)(H,23,24,25)