5-(5-methylthiophen-2-yl)-2-[(2-nitrophenoxy)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(5-methylthiophen-2-yl)-2-[(2-nitrophenoxy)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(5-methyl-2-thienyl)-2-[(2-nitrophenoxy)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(5-methyl-2-thiophenyl)-2-[(2-nitrophenoxy)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(5-methylthiophen-2-yl)-2-[(2-nitrophenoxy)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(5-methyl-2-thienyl)-2-[(2-nitrophenoxy)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H13N3O4S2 MolecularWeight: 399.44352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CSC3=C2C(=O)NC(=N3)COC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(S1)C2=CSC3=C2C(=O)NC(=N3)COC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O4S2/c1-10-6-7-14(27-10)11-9-26-18-16(11)17(22)19-15(20-18)8-25-13-5-3-2-4-12(13)21(23)24/h2-7,9H,8H2,1H3,(H,19,20,22)