3-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]-5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]-5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl]-5-(5-methyl-2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-5-(5-methyl-2-thiophenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-(4-methyl-3-nitro-phenyl)ethyl]-5-(5-methyl-2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C20H15N3O4S2 MolecularWeight: 425.4808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(S4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(S4)C)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O4S2/c1-11-3-5-13(7-15(11)23(26)27)16(24)8-22-10-21-19-18(20(22)25)14(9-28-19)17-6-4-12(2)29-17/h3-7,9-10H,8H2,1-2H3