3-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)propyl-diethyl-azanium

Systemtic Name: 3-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)propyl-diethyl-azanium Openeye Name: 3-(7,7-dimethyl-2-phenyl-4-thioxo-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)propyl-diethyl-ammonium CAS Name: 3-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)propyl-diethylammonium IUPAC Name: 3-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)propyl-diethylazanium Traditional Name: 3-(7,7-dimethyl-2-phenyl-4-thioxo-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)propyl-diethyl-ammonium Formula: C22H32N3OS+ MolecularWeight: 386.57398

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C2=C(COC(C2)(C)C)C(=S)N=C1C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCCN1C2=C(COC(C2)(C)C)C(=S)N=C1C3=CC=CC=C3

InChI

InChI=1S/C22H31N3OS/c1-5-24(6-2)13-10-14-25-19-15-22(3,4)26-16-18(19)21(27)23-20(25)17-11-8-7-9-12-17/h7-9,11-12H,5-6,10,13-16H2,1-4H3/p+1