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

Systemtic Name: N-cyclohexyl-5-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-cyclohexyl-5-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-cyclohexyl-5-methyl-2-[(3-nitrophenyl)methylthio]-4-oxo-3-phenethyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-cyclohexyl-5-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-phenethylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-cyclohexyl-4-keto-5-methyl-2-[(3-nitrobenzyl)thio]-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C29H30N4O4S2 MolecularWeight: 562.7029

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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-])CCC4=CC=CC=C4)C(=O)NC5CCCCC5

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])CCC4=CC=CC=C4)C(=O)NC5CCCCC5

InChI

InChI=1S/C29H30N4O4S2/c1-19-24-27(39-25(19)26(34)30-22-12-6-3-7-13-22)31-29(38-18-21-11-8-14-23(17-21)33(36)37)32(28(24)35)16-15-20-9-4-2-5-10-20/h2,4-5,8-11,14,17,22H,3,6-7,12-13,15-16,18H2,1H3,(H,30,34)