3-(3-methoxypropyl)-2-(3-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione

Systemtic Name: 3-(3-methoxypropyl)-2-(3-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 3-(3-methoxypropyl)-2-(3-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 3-(3-methoxypropyl)-2-(3-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 3-(3-methoxypropyl)-2-(3-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 3-(3-methoxypropyl)-2-(3-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-quinone Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3S2)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COCCCN1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3S2)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O5S/c1-29-11-5-10-23-19(13-6-4-7-14(12-13)24(27)28)22-20-17(21(23)26)18(25)15-8-2-3-9-16(15)30-20/h2-4,6-9,12H,5,10-11H2,1H3