3-[(4-nitrophenyl)methyl]-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O4S/c1-2-11-29-18-9-5-16(6-10-18)19-13-30-21-20(19)22(26)24(14-23-21)12-15-3-7-17(8-4-15)25(27)28/h3-10,13-14H,2,11-12H2,1H3