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

Systemtic Name: 2-(4-nitrophenyl)-3-phenethyl-thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 2-(4-nitrophenyl)-3-phenethyl-thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 2-(4-nitrophenyl)-3-phenethylthiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 2-(4-nitrophenyl)-3-phenethylthiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 2-(4-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=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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