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

Systemtic Name: 3-cycloheptyl-2-(4-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 3-cycloheptyl-2-(4-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 3-cycloheptyl-2-(4-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 3-cycloheptyl-2-(4-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 3-cycloheptyl-2-(4-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-quinone Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2C(=NC3=C(C2=O)C(=O)C4=CC=CC=C4S3)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)N2C(=NC3=C(C2=O)C(=O)C4=CC=CC=C4S3)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O4S/c28-21-18-9-5-6-10-19(18)32-23-20(21)24(29)26(16-7-3-1-2-4-8-16)22(25-23)15-11-13-17(14-12-15)27(30)31/h5-6,9-14,16H,1-4,7-8H2