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

Systemtic Name: 2-(4-ethoxyphenyl)-4-(phenylmethylsulfanyl)-5H-chromeno[2,3-d]pyrimidine Openeye Name: 4-benzylsulfanyl-2-(4-ethoxyphenyl)-5H-chromeno[2,3-d]pyrimidine CAS Name: 2-(4-ethoxyphenyl)-4-(phenylmethylthio)-5H-[1]benzopyrano[2,3-d]pyrimidine IUPAC Name: 4-benzylsulfanyl-2-(4-ethoxyphenyl)-5H-chromeno[2,3-d]pyrimidine Traditional Name: 4-(benzylthio)-2-p-phenetyl-5H-chromeno[2,3-d]pyrimidine Formula: C26H22N2O2S MolecularWeight: 426.53008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(CC4=CC=CC=C4O3)C(=N2)SCC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(CC4=CC=CC=C4O3)C(=N2)SCC5=CC=CC=C5

InChI

InChI=1S/C26H22N2O2S/c1-2-29-21-14-12-19(13-15-21)24-27-25-22(16-20-10-6-7-11-23(20)30-25)26(28-24)31-17-18-8-4-3-5-9-18/h3-15H,2,16-17H2,1H3