7-bromanyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-yl-chromeno[2,3-d]pyrimidine-4,5-dione

Systemtic Name: 7-bromanyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-yl-chromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 7-bromo-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-thienyl)chromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 7-bromo-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-yl[1]benzopyrano[2,3-d]pyrimidine-4,5-dione IUPAC Name: 7-bromo-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylchromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 7-bromo-3-homoveratryl-2-(2-thienyl)chromeno[2,3-d]pyrimidine-4,5-quinone Formula: C25H19BrN2O5S MolecularWeight: 539.39776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=NC3=C(C2=O)C(=O)C4=C(O3)C=CC(=C4)Br)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=NC3=C(C2=O)C(=O)C4=C(O3)C=CC(=C4)Br)C5=CC=CS5)OC

InChI

InChI=1S/C25H19BrN2O5S/c1-31-18-7-5-14(12-19(18)32-2)9-10-28-23(20-4-3-11-34-20)27-24-21(25(28)30)22(29)16-13-15(26)6-8-17(16)33-24/h3-8,11-13H,9-10H2,1-2H3