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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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