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

Systemtic Name: 7-methyl-2-(4-methylphenyl)-4-(phenylmethylsulfanyl)-5H-chromeno[2,3-d]pyrimidine Openeye Name: 4-benzylsulfanyl-7-methyl-2-(p-tolyl)-5H-chromeno[2,3-d]pyrimidine CAS Name: 7-methyl-2-(4-methylphenyl)-4-(phenylmethylthio)-5H-[1]benzopyrano[2,3-d]pyrimidine IUPAC Name: 4-benzylsulfanyl-7-methyl-2-(4-methylphenyl)-5H-chromeno[2,3-d]pyrimidine Traditional Name: 4-(benzylthio)-7-methyl-2-(p-tolyl)-5H-chromeno[2,3-d]pyrimidine Formula: C26H22N2OS MolecularWeight: 410.53068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(CC4=C(O3)C=CC(=C4)C)C(=N2)SCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(CC4=C(O3)C=CC(=C4)C)C(=N2)SCC5=CC=CC=C5

InChI

InChI=1S/C26H22N2OS/c1-17-8-11-20(12-9-17)24-27-25-22(15-21-14-18(2)10-13-23(21)29-25)26(28-24)30-16-19-6-4-3-5-7-19/h3-14H,15-16H2,1-2H3