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

Systemtic Name: 3-[(3-nitrophenyl)methyl]thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-[(3-nitrophenyl)methyl]thieno[3,2-d]pyrimidin-4-one CAS Name: 3-[(3-nitrophenyl)methyl]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-[(3-nitrophenyl)methyl]thieno[3,2-d]pyrimidin-4-one Traditional Name: 3-(3-nitrobenzyl)thieno[3,2-d]pyrimidin-4-one Formula: C13H9N3O3S MolecularWeight: 287.29386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=NC3=C(C2=O)SC=C3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=NC3=C(C2=O)SC=C3

InChI

InChI=1S/C13H9N3O3S/c17-13-12-11(4-5-20-12)14-8-15(13)7-9-2-1-3-10(6-9)16(18)19/h1-6,8H,7H2