methyl N'-(2,5-dimethoxyphenyl)sulfonyl-N-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)carbamimidothioate

Systemtic Name: methyl N'-(2,5-dimethoxyphenyl)sulfonyl-N-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)carbamimidothioate Openeye Name: 3-(2,5-dimethoxyphenyl)sulfonyl-2-methyl-1-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)isothiourea CAS Name: N'-(2,5-dimethoxyphenyl)sulfonyl-N-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(2,5-dimethoxyphenyl)sulfonyl-N-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)carbamimidothioate Traditional Name: 3-(2,5-dimethoxyphenyl)sulfonyl-2-methyl-1-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)isothiourea Formula: C18H22N4O4S2 MolecularWeight: 422.52168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1CCC2)NC(=NS(=O)(=O)C3=C(C=CC(=C3)OC)OC)SC

Isomeric SMILES

CC1=NC(=NC2=C1CCC2)N/C(=N/S(=O)(=O)C3=C(C=CC(=C3)OC)OC)/SC

InChI

InChI=1S/C18H22N4O4S2/c1-11-13-6-5-7-14(13)20-17(19-11)21-18(27-4)22-28(23,24)16-10-12(25-2)8-9-15(16)26-3/h8-10H,5-7H2,1-4H3,(H,19,20,21,22)