5-(4-chloranyl-3-methyl-phenyl)-6-ethyl-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-chloranyl-3-methyl-phenyl)-6-ethyl-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-chloro-3-methyl-phenyl)-6-ethyl-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-chloro-3-methylphenyl)-6-ethyl-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-chloro-3-methylphenyl)-6-ethyl-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-chloro-3-methyl-phenyl)-6-ethyl-2-(4-nitrobenzyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H18ClN3O3S MolecularWeight: 439.91462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=C(NC2=O)CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC(=C(C=C4)Cl)C

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(NC2=O)CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC(=C(C=C4)Cl)C

InChI

InChI=1S/C22H18ClN3O3S/c1-3-17-19(14-6-9-16(23)12(2)10-14)20-21(27)24-18(25-22(20)30-17)11-13-4-7-15(8-5-13)26(28)29/h4-10H,3,11H2,1-2H3,(H,24,25,27)