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

Systemtic Name: 2-(4-methoxyphenyl)-4-(phenylmethylsulfanyl)-5H-chromeno[2,3-d]pyrimidine Openeye Name: 4-benzylsulfanyl-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidine CAS Name: 2-(4-methoxyphenyl)-4-(phenylmethylthio)-5H-[1]benzopyrano[2,3-d]pyrimidine IUPAC Name: 4-benzylsulfanyl-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidine Traditional Name: 4-(benzylthio)-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidine Formula: C25H20N2O2S MolecularWeight: 412.5035

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(CC4=CC=CC=C4O3)C(=N2)SCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(CC4=CC=CC=C4O3)C(=N2)SCC5=CC=CC=C5

InChI

InChI=1S/C25H20N2O2S/c1-28-20-13-11-18(12-14-20)23-26-24-21(15-19-9-5-6-10-22(19)29-24)25(27-23)30-16-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3