7-bromanyl-2-(4-methoxyphenyl)-4-(phenylmethylsulfanyl)-5H-chromeno[2,3-d]pyrimidine

Systemtic Name: 7-bromanyl-2-(4-methoxyphenyl)-4-(phenylmethylsulfanyl)-5H-chromeno[2,3-d]pyrimidine Openeye Name: 4-benzylsulfanyl-7-bromo-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidine CAS Name: 7-bromo-2-(4-methoxyphenyl)-4-(phenylmethylthio)-5H-[1]benzopyrano[2,3-d]pyrimidine IUPAC Name: 4-benzylsulfanyl-7-bromo-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidine Traditional Name: 4-(benzylthio)-7-bromo-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidine Formula: C25H19BrN2O2S MolecularWeight: 491.39956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(CC4=C(O3)C=CC(=C4)Br)C(=N2)SCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(CC4=C(O3)C=CC(=C4)Br)C(=N2)SCC5=CC=CC=C5

InChI

InChI=1S/C25H19BrN2O2S/c1-29-20-10-7-17(8-11-20)23-27-24-21(14-18-13-19(26)9-12-22(18)30-24)25(28-23)31-15-16-5-3-2-4-6-16/h2-13H,14-15H2,1H3