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

Systemtic Name: 9-methoxy-2-(4-methoxyphenyl)-4-(phenylmethylsulfanyl)-5H-chromeno[2,3-d]pyrimidine Openeye Name: 4-benzylsulfanyl-9-methoxy-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidine CAS Name: 9-methoxy-2-(4-methoxyphenyl)-4-(phenylmethylthio)-5H-[1]benzopyrano[2,3-d]pyrimidine IUPAC Name: 4-benzylsulfanyl-9-methoxy-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidine Traditional Name: 4-(benzylthio)-9-methoxy-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidine Formula: C26H22N2O3S MolecularWeight: 442.52948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22N2O3S/c1-29-20-13-11-18(12-14-20)24-27-25-21(15-19-9-6-10-22(30-2)23(19)31-25)26(28-24)32-16-17-7-4-3-5-8-17/h3-14H,15-16H2,1-2H3