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

Systemtic Name: 2-(4-methoxyphenyl)-7,7-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-5,8-dihydropyrano[4,3-d]pyrimidine Openeye Name: 2-(4-methoxyphenyl)-7,7-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-5,8-dihydropyrano[4,3-d]pyrimidine CAS Name: 2-(4-methoxyphenyl)-7,7-dimethyl-4-[2-(1-pyrrolidin-1-iumyl)ethylthio]-5,8-dihydropyrano[4,3-d]pyrimidine IUPAC Name: 2-(4-methoxyphenyl)-7,7-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-5,8-dihydropyrano[4,3-d]pyrimidine Traditional Name: 2-(4-methoxyphenyl)-7,7-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethylthio)-5,8-dihydropyrano[4,3-d]pyrimidine Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CO1)C(=NC(=N2)C3=CC=C(C=C3)OC)SCC[NH+]4CCCC4)C

Isomeric SMILES

CC1(CC2=C(CO1)C(=NC(=N2)C3=CC=C(C=C3)OC)SCC[NH+]4CCCC4)C

InChI

InChI=1S/C22H29N3O2S/c1-22(2)14-19-18(15-27-22)21(28-13-12-25-10-4-5-11-25)24-20(23-19)16-6-8-17(26-3)9-7-16/h6-9H,4-5,10-15H2,1-3H3/p+1