3H-1,3-benzoxazol-2-ylidene-[(4R)-8-methyl-5-oxidanylidene-4-phenyl-1,4-dihydropyrano[4,3-d]pyrimidin-2-yl]azanium

Systemtic Name: 3H-1,3-benzoxazol-2-ylidene-[(4R)-8-methyl-5-oxidanylidene-4-phenyl-1,4-dihydropyrano[4,3-d]pyrimidin-2-yl]azanium Openeye Name: 3H-1,3-benzoxazol-2-ylidene-[(4R)-8-methyl-5-oxo-4-phenyl-1,4-dihydropyrano[4,3-d]pyrimidin-2-yl]ammonium CAS Name: 3H-1,3-benzoxazol-2-ylidene-[(4R)-8-methyl-5-oxo-4-phenyl-1,4-dihydropyrano[4,3-d]pyrimidin-2-yl]ammonium IUPAC Name: 3H-1,3-benzoxazol-2-ylidene-[(4R)-8-methyl-5-oxo-4-phenyl-1,4-dihydropyrano[4,3-d]pyrimidin-2-yl]azanium Traditional Name: 3H-1,3-benzoxazol-2-ylidene-[(4R)-5-keto-8-methyl-4-phenyl-1,4-dihydropyrano[4,3-d]pyrimidin-2-yl]ammonium Formula: C21H17N4O3+ MolecularWeight: 373.38468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC(=O)C2=C1NC(=NC2C3=CC=CC=C3)[NH+]=C4NC5=CC=CC=C5O4

Isomeric SMILES

CC1=COC(=O)C2=C1NC(=N[C@@H]2C3=CC=CC=C3)[NH+]=C4NC5=CC=CC=C5O4

InChI

InChI=1S/C21H16N4O3/c1-12-11-27-19(26)16-17(12)23-20(24-18(16)13-7-3-2-4-8-13)25-21-22-14-9-5-6-10-15(14)28-21/h2-11,18H,1H3,(H2,22,23,24,25)/p+1/t18-/m1/s1