5,6-dimethyl-2-[5-(3-nitrophenyl)furan-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[5-(3-nitrophenyl)furan-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[5-(3-nitrophenyl)-2-furyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[5-(3-nitrophenyl)-2-furanyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[5-(3-nitrophenyl)furan-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[5-(3-nitrophenyl)-2-furyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H13N3O4S MolecularWeight: 367.37852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C18H13N3O4S/c1-9-10(2)26-18-15(9)17(22)19-16(20-18)14-7-6-13(25-14)11-4-3-5-12(8-11)21(23)24/h3-8H,1-2H3,(H,19,20,22)