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

Systemtic Name: 9-ethoxy-2-(4-ethoxyphenyl)-4-(phenylmethylsulfanyl)-5H-chromeno[2,3-d]pyrimidine Openeye Name: 4-benzylsulfanyl-9-ethoxy-2-(4-ethoxyphenyl)-5H-chromeno[2,3-d]pyrimidine CAS Name: 9-ethoxy-2-(4-ethoxyphenyl)-4-(phenylmethylthio)-5H-[1]benzopyrano[2,3-d]pyrimidine IUPAC Name: 4-benzylsulfanyl-9-ethoxy-2-(4-ethoxyphenyl)-5H-chromeno[2,3-d]pyrimidine Traditional Name: 4-(benzylthio)-9-ethoxy-2-p-phenetyl-5H-chromeno[2,3-d]pyrimidine Formula: C28H26N2O3S MolecularWeight: 470.58264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(CC4=C(O3)C(=CC=C4)OCC)C(=N2)SCC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(CC4=C(O3)C(=CC=C4)OCC)C(=N2)SCC5=CC=CC=C5

InChI

InChI=1S/C28H26N2O3S/c1-3-31-22-15-13-20(14-16-22)26-29-27-23(28(30-26)34-18-19-9-6-5-7-10-19)17-21-11-8-12-24(32-4-2)25(21)33-27/h5-16H,3-4,17-18H2,1-2H3