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

Systemtic Name: 2-(3-bromophenyl)-3-(3-methoxypropyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 2-(3-bromophenyl)-3-(3-methoxypropyl)thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 2-(3-bromophenyl)-3-(3-methoxypropyl)thiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 2-(3-bromophenyl)-3-(3-methoxypropyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 2-(3-bromophenyl)-3-(3-methoxypropyl)thiochromeno[2,3-d]pyrimidine-4,5-quinone Formula: C21H17BrN2O3S MolecularWeight: 457.34028

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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)Br

Isomeric SMILES

COCCCN1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3S2)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H17BrN2O3S/c1-27-11-5-10-24-19(13-6-4-7-14(22)12-13)23-20-17(21(24)26)18(25)15-8-2-3-9-16(15)28-20/h2-4,6-9,12H,5,10-11H2,1H3