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

Systemtic Name: 7,7-dimethyl-2-phenyl-4-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-5,8-dihydropyrano[4,3-d]pyrimidine Openeye Name: 7,7-dimethyl-2-phenyl-4-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-5,8-dihydropyrano[4,3-d]pyrimidine CAS Name: 7,7-dimethyl-2-phenyl-4-[2-(1-pyrrolidin-1-iumyl)ethylthio]-5,8-dihydropyrano[4,3-d]pyrimidine IUPAC Name: 7,7-dimethyl-2-phenyl-4-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-5,8-dihydropyrano[4,3-d]pyrimidine Traditional Name: 7,7-dimethyl-2-phenyl-4-(2-pyrrolidin-1-ium-1-ylethylthio)-5,8-dihydropyrano[4,3-d]pyrimidine Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3OS/c1-21(2)14-18-17(15-25-21)20(26-13-12-24-10-6-7-11-24)23-19(22-18)16-8-4-3-5-9-16/h3-5,8-9H,6-7,10-15H2,1-2H3/p+1