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

Systemtic Name: 7,7-dimethyl-4-(3-methylbutylsulfanyl)-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine Openeye Name: 4-isopentylsulfanyl-7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine CAS Name: 7,7-dimethyl-4-(3-methylbutylthio)-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine IUPAC Name: 7,7-dimethyl-4-(3-methylbutylsulfanyl)-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine Traditional Name: 4-(isoamylthio)-7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine Formula: C20H26N2OS MolecularWeight: 342.49824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC(=NC2=C1COC(C2)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCSC1=NC(=NC2=C1COC(C2)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C20H26N2OS/c1-14(2)10-11-24-19-16-13-23-20(3,4)12-17(16)21-18(22-19)15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3