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

Systemtic Name: 9-ethoxy-2-(4-methoxyphenyl)-4-(phenylmethylsulfanyl)-5H-chromeno[2,3-d]pyrimidine Openeye Name: 4-benzylsulfanyl-9-ethoxy-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidine CAS Name: 9-ethoxy-2-(4-methoxyphenyl)-4-(phenylmethylthio)-5H-[1]benzopyrano[2,3-d]pyrimidine IUPAC Name: 4-benzylsulfanyl-9-ethoxy-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidine Traditional Name: 4-(benzylthio)-9-ethoxy-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidine Formula: C27H24N2O3S MolecularWeight: 456.55606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24N2O3S/c1-3-31-23-11-7-10-20-16-22-26(32-24(20)23)28-25(19-12-14-21(30-2)15-13-19)29-27(22)33-17-18-8-5-4-6-9-18/h4-15H,3,16-17H2,1-2H3