3-cycloheptyl-2-thiophen-2-yl-thiochromeno[2,3-d]pyrimidine-4,5-dione

Systemtic Name: 3-cycloheptyl-2-thiophen-2-yl-thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 3-cycloheptyl-2-(2-thienyl)thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 3-cycloheptyl-2-thiophen-2-ylthiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 3-cycloheptyl-2-thiophen-2-ylthiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 3-cycloheptyl-2-(2-thienyl)thiochromeno[2,3-d]pyrimidine-4,5-quinone Formula: C22H20N2O2S2 MolecularWeight: 408.5364

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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=CS5

Isomeric SMILES

C1CCCC(CC1)N2C(=NC3=C(C2=O)C(=O)C4=CC=CC=C4S3)C5=CC=CS5

InChI

InChI=1S/C22H20N2O2S2/c25-19-15-10-5-6-11-16(15)28-21-18(19)22(26)24(14-8-3-1-2-4-9-14)20(23-21)17-12-7-13-27-17/h5-7,10-14H,1-4,8-9H2