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

Systemtic Name: 7-chloranyl-2-(4-ethoxyphenyl)-4-(phenylmethylsulfanyl)-5H-chromeno[2,3-d]pyrimidine Openeye Name: 4-benzylsulfanyl-7-chloro-2-(4-ethoxyphenyl)-5H-chromeno[2,3-d]pyrimidine CAS Name: 7-chloro-2-(4-ethoxyphenyl)-4-(phenylmethylthio)-5H-[1]benzopyrano[2,3-d]pyrimidine IUPAC Name: 4-benzylsulfanyl-7-chloro-2-(4-ethoxyphenyl)-5H-chromeno[2,3-d]pyrimidine Traditional Name: 4-(benzylthio)-7-chloro-2-p-phenetyl-5H-chromeno[2,3-d]pyrimidine Formula: C26H21ClN2O2S MolecularWeight: 460.97514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21ClN2O2S/c1-2-30-21-11-8-18(9-12-21)24-28-25-22(15-19-14-20(27)10-13-23(19)31-25)26(29-24)32-16-17-6-4-3-5-7-17/h3-14H,2,15-16H2,1H3