7,7-dimethyl-2-(4-methylphenyl)-4-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-5,8-dihydropyrano[4,3-d]pyrimidine

Systemtic Name: 7,7-dimethyl-2-(4-methylphenyl)-4-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-5,8-dihydropyrano[4,3-d]pyrimidine Openeye Name: 7,7-dimethyl-2-(p-tolyl)-4-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-5,8-dihydropyrano[4,3-d]pyrimidine CAS Name: 7,7-dimethyl-2-(4-methylphenyl)-4-[2-(1-pyrrolidin-1-iumyl)ethylthio]-5,8-dihydropyrano[4,3-d]pyrimidine IUPAC Name: 7,7-dimethyl-2-(4-methylphenyl)-4-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-5,8-dihydropyrano[4,3-d]pyrimidine Traditional Name: 7,7-dimethyl-2-(p-tolyl)-4-(2-pyrrolidin-1-ium-1-ylethylthio)-5,8-dihydropyrano[4,3-d]pyrimidine Formula: C22H30N3OS+ MolecularWeight: 384.5581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(COC(C3)(C)C)C(=N2)SCC[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(COC(C3)(C)C)C(=N2)SCC[NH+]4CCCC4

InChI

InChI=1S/C22H29N3OS/c1-16-6-8-17(9-7-16)20-23-19-14-22(2,3)26-15-18(19)21(24-20)27-13-12-25-10-4-5-11-25/h6-9H,4-5,10-15H2,1-3H3/p+1