5-ethyl-6-methyl-2-[(4-nitrophenyl)methylsulfanyl]-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-ethyl-6-methyl-2-[(4-nitrophenyl)methylsulfanyl]-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-ethyl-6-methyl-2-[(4-nitrophenyl)methylsulfanyl]-3-(tetrahydrofuran-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-ethyl-6-methyl-2-[(4-nitrophenyl)methylthio]-3-(2-oxolanylmethyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-ethyl-6-methyl-2-[(4-nitrophenyl)methylsulfanyl]-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-ethyl-6-methyl-2-[(4-nitrobenzyl)thio]-3-(tetrahydrofurfuryl)thieno[2,3-d]pyrimidin-4-one Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])CC4CCCO4)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])CC4CCCO4)C

InChI

InChI=1S/C21H23N3O4S2/c1-3-17-13(2)30-19-18(17)20(25)23(11-16-5-4-10-28-16)21(22-19)29-12-14-6-8-15(9-7-14)24(26)27/h6-9,16H,3-5,10-12H2,1-2H3