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

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

Isomeric SMILES

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

InChI

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