7-bromanyl-9-methoxy-2-phenyl-4-(phenylmethylsulfanyl)-5H-chromeno[2,3-d]pyrimidine

Systemtic Name: 7-bromanyl-9-methoxy-2-phenyl-4-(phenylmethylsulfanyl)-5H-chromeno[2,3-d]pyrimidine Openeye Name: 4-benzylsulfanyl-7-bromo-9-methoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidine CAS Name: 7-bromo-9-methoxy-2-phenyl-4-(phenylmethylthio)-5H-[1]benzopyrano[2,3-d]pyrimidine IUPAC Name: 4-benzylsulfanyl-7-bromo-9-methoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidine Traditional Name: 4-(benzylthio)-7-bromo-9-methoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidine Formula: C25H19BrN2O2S MolecularWeight: 491.39956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)Br)CC3=C(O2)N=C(N=C3SCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=C2C(=CC(=C1)Br)CC3=C(O2)N=C(N=C3SCC4=CC=CC=C4)C5=CC=CC=C5

InChI

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