N-cyclohexyl-5-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-cyclohexyl-5-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 3-benzyl-N-cyclohexyl-5-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-cyclohexyl-5-methyl-2-[(3-nitrophenyl)methylthio]-4-oxo-3-(phenylmethyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 3-benzyl-N-cyclohexyl-5-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 3-benzyl-N-cyclohexyl-4-keto-5-methyl-2-[(3-nitrobenzyl)thio]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C28H28N4O4S2 MolecularWeight: 548.67632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4)C(=O)NC5CCCCC5

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4)C(=O)NC5CCCCC5

InChI

InChI=1S/C28H28N4O4S2/c1-18-23-26(38-24(18)25(33)29-21-12-6-3-7-13-21)30-28(31(27(23)34)16-19-9-4-2-5-10-19)37-17-20-11-8-14-22(15-20)32(35)36/h2,4-5,8-11,14-15,21H,3,6-7,12-13,16-17H2,1H3,(H,29,33)