2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-methyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-methyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(2-methoxy-5-nitrophenyl)methylthio]-3-methyl-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-3-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(2-methoxy-5-nitro-benzyl)thio]-3-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C19H15N3O4S3 MolecularWeight: 445.5351

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC3=C(C=CC(=C3)[N+](=O)[O-])OC)SC=C2C4=CC=CS4

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC3=C(C=CC(=C3)[N+](=O)[O-])OC)SC=C2C4=CC=CS4

InChI

InChI=1S/C19H15N3O4S3/c1-21-18(23)16-13(15-4-3-7-27-15)10-28-17(16)20-19(21)29-9-11-8-12(22(24)25)5-6-14(11)26-2/h3-8,10H,9H2,1-2H3