5,6-dimethyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-5,6-dimethyl-2-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5,6-dimethyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-5,6-dimethyl-2-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]thieno[2,3-d]pyrimidin-4-one Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SC=CC3=CC=C(O3)[N+](=O)[O-])CC=C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O4S2/c1-4-8-19-16(21)14-10(2)11(3)26-15(14)18-17(19)25-9-7-12-5-6-13(24-12)20(22)23/h4-7,9H,1,8H2,2-3H3/b9-7+