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

Systemtic Name: 9-ethoxy-2-phenyl-4-(phenylmethylsulfanyl)-5H-chromeno[2,3-d]pyrimidine Openeye Name: 4-benzylsulfanyl-9-ethoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidine CAS Name: 9-ethoxy-2-phenyl-4-(phenylmethylthio)-5H-[1]benzopyrano[2,3-d]pyrimidine IUPAC Name: 4-benzylsulfanyl-9-ethoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidine Traditional Name: 4-(benzylthio)-9-ethoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidine Formula: C26H22N2O2S MolecularWeight: 426.53008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC3=C(C2)C(=NC(=N3)C4=CC=CC=C4)SCC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=CC2=C1OC3=C(C2)C(=NC(=N3)C4=CC=CC=C4)SCC5=CC=CC=C5

InChI

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