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

Systemtic Name: 7,7-dimethyl-4-(2-morpholin-4-ium-4-ylethylsulfanyl)-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine Openeye Name: 7,7-dimethyl-4-(2-morpholin-4-ium-4-ylethylsulfanyl)-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine CAS Name: 7,7-dimethyl-4-[2-(4-morpholin-4-iumyl)ethylthio]-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine IUPAC Name: 7,7-dimethyl-4-(2-morpholin-4-ium-4-ylethylsulfanyl)-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine Traditional Name: 7,7-dimethyl-4-(2-morpholin-4-ium-4-ylethylthio)-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CO1)C(=NC(=N2)C3=CC=CC=C3)SCC[NH+]4CCOCC4)C

Isomeric SMILES

CC1(CC2=C(CO1)C(=NC(=N2)C3=CC=CC=C3)SCC[NH+]4CCOCC4)C

InChI

InChI=1S/C21H27N3O2S/c1-21(2)14-18-17(15-26-21)20(27-13-10-24-8-11-25-12-9-24)23-19(22-18)16-6-4-3-5-7-16/h3-7H,8-15H2,1-2H3/p+1