3H-1,3-benzoxazol-2-ylidene-[(4S)-7,7-dimethyl-5-oxidanylidene-4-pyridin-2-yl-1,4,6,8-tetrahydroquinazolin-2-yl]azanium

Systemtic Name: 3H-1,3-benzoxazol-2-ylidene-[(4S)-7,7-dimethyl-5-oxidanylidene-4-pyridin-2-yl-1,4,6,8-tetrahydroquinazolin-2-yl]azanium Openeye Name: 3H-1,3-benzoxazol-2-ylidene-[(4S)-7,7-dimethyl-5-oxo-4-(2-pyridyl)-1,4,6,8-tetrahydroquinazolin-2-yl]ammonium CAS Name: 3H-1,3-benzoxazol-2-ylidene-[(4S)-7,7-dimethyl-5-oxo-4-(2-pyridinyl)-1,4,6,8-tetrahydroquinazolin-2-yl]ammonium IUPAC Name: 3H-1,3-benzoxazol-2-ylidene-[(4S)-7,7-dimethyl-5-oxo-4-pyridin-2-yl-1,4,6,8-tetrahydroquinazolin-2-yl]azanium Traditional Name: 3H-1,3-benzoxazol-2-ylidene-[(4S)-5-keto-7,7-dimethyl-4-(2-pyridyl)-1,4,6,8-tetrahydroquinazolin-2-yl]ammonium Formula: C22H22N5O2+ MolecularWeight: 388.44238

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(N=C(N2)[NH+]=C3NC4=CC=CC=C4O3)C5=CC=CC=N5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@H](N=C(N2)[NH+]=C3NC4=CC=CC=C4O3)C5=CC=CC=N5)C(=O)C1)C

InChI

InChI=1S/C22H21N5O2/c1-22(2)11-15-18(16(28)12-22)19(14-8-5-6-10-23-14)26-20(24-15)27-21-25-13-7-3-4-9-17(13)29-21/h3-10,19H,11-12H2,1-2H3,(H2,24,25,26,27)/p+1/t19-/m1/s1