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

Systemtic Name: 2-(4-ethoxyphenyl)-7-methyl-4-(phenylmethylsulfanyl)-5H-chromeno[2,3-d]pyrimidine Openeye Name: 4-benzylsulfanyl-2-(4-ethoxyphenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidine CAS Name: 2-(4-ethoxyphenyl)-7-methyl-4-(phenylmethylthio)-5H-[1]benzopyrano[2,3-d]pyrimidine IUPAC Name: 4-benzylsulfanyl-2-(4-ethoxyphenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidine Traditional Name: 4-(benzylthio)-7-methyl-2-p-phenetyl-5H-chromeno[2,3-d]pyrimidine Formula: C27H24N2O2S MolecularWeight: 440.55666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24N2O2S/c1-3-30-22-12-10-20(11-13-22)25-28-26-23(16-21-15-18(2)9-14-24(21)31-26)27(29-25)32-17-19-7-5-4-6-8-19/h4-15H,3,16-17H2,1-2H3