3-[[(6S)-6-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-2-yl]sulfanyl]propylazanium

Systemtic Name: 3-[[(6S)-6-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-2-yl]sulfanyl]propylazanium Openeye Name: 3-[[(6S)-6-methyl-4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl]sulfanyl]propylammonium CAS Name: 3-[[(6S)-6-methyl-4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl]thio]propylammonium IUPAC Name: 3-[[(6S)-6-methyl-4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl]sulfanyl]propylazanium Traditional Name: 3-[[(6S)-4-keto-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-yl]thio]propylammonium Formula: C12H20N3OS+ MolecularWeight: 254.3717

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=O)N=C(N2)SCCC[NH3+]

Isomeric SMILES

C[C@H]1CCC2=C(C1)C(=O)N=C(N2)SCCC[NH3+]

InChI

InChI=1S/C12H19N3OS/c1-8-3-4-10-9(7-8)11(16)15-12(14-10)17-6-2-5-13/h8H,2-7,13H2,1H3,(H,14,15,16)/p+1/t8-/m0/s1