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

Systemtic Name: 6-ethyl-5-methyl-3-[(4-methylphenyl)methyl]-2-[(3-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-ethyl-5-methyl-2-[(3-nitrophenyl)methylsulfanyl]-3-(p-tolylmethyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 6-ethyl-5-methyl-3-[(4-methylphenyl)methyl]-2-[(3-nitrophenyl)methylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-ethyl-5-methyl-3-[(4-methylphenyl)methyl]-2-[(3-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-ethyl-5-methyl-3-(4-methylbenzyl)-2-[(3-nitrobenzyl)thio]thieno[2,3-d]pyrimidin-4-one Formula: C24H23N3O3S2 MolecularWeight: 465.58772

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=C(C=C3)C)SCC4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=C(C=C3)C)SCC4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C24H23N3O3S2/c1-4-20-16(3)21-22(32-20)25-24(31-14-18-6-5-7-19(12-18)27(29)30)26(23(21)28)13-17-10-8-15(2)9-11-17/h5-12H,4,13-14H2,1-3H3