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

Systemtic Name: 3-(3-methoxypropyl)-2-(4-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 3-(3-methoxypropyl)-2-(4-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 3-(3-methoxypropyl)-2-(4-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 3-(3-methoxypropyl)-2-(4-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 3-(3-methoxypropyl)-2-(4-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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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