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

Systemtic Name: 3-cycloheptyl-2-(3,4,5-trimethoxyphenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 3-cycloheptyl-2-(3,4,5-trimethoxyphenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 3-cycloheptyl-2-(3,4,5-trimethoxyphenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 3-cycloheptyl-2-(3,4,5-trimethoxyphenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 3-cycloheptyl-2-(3,4,5-trimethoxyphenyl)thiochromeno[2,3-d]pyrimidine-4,5-quinone Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC3=C(C(=O)C4=CC=CC=C4S3)C(=O)N2C5CCCCCC5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=C(C(=O)C4=CC=CC=C4S3)C(=O)N2C5CCCCCC5

InChI

InChI=1S/C27H28N2O5S/c1-32-19-14-16(15-20(33-2)24(19)34-3)25-28-26-22(23(30)18-12-8-9-13-21(18)35-26)27(31)29(25)17-10-6-4-5-7-11-17/h8-9,12-15,17H,4-7,10-11H2,1-3H3