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

Systemtic Name: 6-ethyl-5-(3-methoxyphenyl)-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-ethyl-5-(3-methoxyphenyl)-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-ethyl-5-(3-methoxyphenyl)-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-ethyl-5-(3-methoxyphenyl)-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-ethyl-5-(3-methoxyphenyl)-2-(4-nitrobenzyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H19N3O4S MolecularWeight: 421.46896

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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(=CC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O4S/c1-3-17-19(14-5-4-6-16(12-14)29-2)20-21(26)23-18(24-22(20)30-17)11-13-7-9-15(10-8-13)25(27)28/h4-10,12H,3,11H2,1-2H3,(H,23,24,26)