7,7-dimethyl-4-(3-methylbutylsulfanyl)-2-(3-methylphenyl)-5,8-dihydropyrano[4,3-d]pyrimidine

Systemtic Name: 7,7-dimethyl-4-(3-methylbutylsulfanyl)-2-(3-methylphenyl)-5,8-dihydropyrano[4,3-d]pyrimidine Openeye Name: 4-isopentylsulfanyl-7,7-dimethyl-2-(m-tolyl)-5,8-dihydropyrano[4,3-d]pyrimidine CAS Name: 7,7-dimethyl-4-(3-methylbutylthio)-2-(3-methylphenyl)-5,8-dihydropyrano[4,3-d]pyrimidine IUPAC Name: 7,7-dimethyl-4-(3-methylbutylsulfanyl)-2-(3-methylphenyl)-5,8-dihydropyrano[4,3-d]pyrimidine Traditional Name: 4-(isoamylthio)-7,7-dimethyl-2-(m-tolyl)-5,8-dihydropyrano[4,3-d]pyrimidine Formula: C21H28N2OS MolecularWeight: 356.52482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(COC(C3)(C)C)C(=N2)SCCC(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(COC(C3)(C)C)C(=N2)SCCC(C)C

InChI

InChI=1S/C21H28N2OS/c1-14(2)9-10-25-20-17-13-24-21(4,5)12-18(17)22-19(23-20)16-8-6-7-15(3)11-16/h6-8,11,14H,9-10,12-13H2,1-5H3