6-[(6-nitro-4-oxidanylidene-chromen-3-yl)methyl]-2-thiophen-2-yl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

Systemtic Name: 6-[(6-nitro-4-oxidanylidene-chromen-3-yl)methyl]-2-thiophen-2-yl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one Openeye Name: 6-[(6-nitro-4-oxo-chromen-3-yl)methyl]-2-(2-thienyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one CAS Name: 6-[(6-nitro-4-oxo-1-benzopyran-3-yl)methyl]-2-thiophen-2-yl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one IUPAC Name: 6-[(6-nitro-4-oxochromen-3-yl)methyl]-2-thiophen-2-yl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one Traditional Name: 6-[(4-keto-6-nitro-chromen-3-yl)methyl]-2-(2-thienyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one Formula: C21H16N4O5S MolecularWeight: 436.44054

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1NC(=NC2=O)C3=CC=CS3)CC4=COC5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=C1NC(=NC2=O)C3=CC=CS3)CC4=COC5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O5S/c26-19-12(11-30-17-4-3-13(25(28)29)8-14(17)19)9-24-6-5-16-15(10-24)21(27)23-20(22-16)18-2-1-7-31-18/h1-4,7-8,11H,5-6,9-10H2,(H,22,23,27)