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

Systemtic Name: 2-(3-nitrophenyl)-3-phenethyl-thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 2-(3-nitrophenyl)-3-phenethyl-thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 2-(3-nitrophenyl)-3-phenethylthiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 2-(3-nitrophenyl)-3-phenethylthiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 2-(3-nitrophenyl)-3-phenethyl-thiochromeno[2,3-d]pyrimidine-4,5-quinone Formula: C25H17N3O4S MolecularWeight: 455.48518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NC3=C(C2=O)C(=O)C4=CC=CC=C4S3)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NC3=C(C2=O)C(=O)C4=CC=CC=C4S3)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H17N3O4S/c29-22-19-11-4-5-12-20(19)33-24-21(22)25(30)27(14-13-16-7-2-1-3-8-16)23(26-24)17-9-6-10-18(15-17)28(31)32/h1-12,15H,13-14H2