3H-1,3-benzoxazol-2-ylidene-[(4R,5R)-6-methylidene-5-[(4-methylphenyl)carbamoyl]-4-(5-nitrofuran-2-yl)-4,5-dihydro-1H-pyrimidin-2-yl]azanium

Systemtic Name: 3H-1,3-benzoxazol-2-ylidene-[(4R,5R)-6-methylidene-5-[(4-methylphenyl)carbamoyl]-4-(5-nitrofuran-2-yl)-4,5-dihydro-1H-pyrimidin-2-yl]azanium Openeye Name: 3H-1,3-benzoxazol-2-ylidene-[(4R,5R)-6-methylene-4-(5-nitro-2-furyl)-5-(p-tolylcarbamoyl)-4,5-dihydro-1H-pyrimidin-2-yl]ammonium CAS Name: 3H-1,3-benzoxazol-2-ylidene-[(4R,5R)-5-[(4-methylanilino)-oxomethyl]-6-methylene-4-(5-nitro-2-furanyl)-4,5-dihydro-1H-pyrimidin-2-yl]ammonium IUPAC Name: 3H-1,3-benzoxazol-2-ylidene-[(4R,5R)-6-methylidene-5-[(4-methylphenyl)carbamoyl]-4-(5-nitrofuran-2-yl)-4,5-dihydro-1H-pyrimidin-2-yl]azanium Traditional Name: 3H-1,3-benzoxazol-2-ylidene-[(4R,5R)-6-methylene-4-(5-nitro-2-furyl)-5-(p-tolylcarbamoyl)-4,5-dihydro-1H-pyrimidin-2-yl]ammonium Formula: C24H21N6O5+ MolecularWeight: 473.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2C(N=C(NC2=C)[NH+]=C3NC4=CC=CC=C4O3)C5=CC=C(O5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@@H]2[C@@H](N=C(NC2=C)[NH+]=C3NC4=CC=CC=C4O3)C5=CC=C(O5)[N+](=O)[O-]

InChI

InChI=1S/C24H20N6O5/c1-13-7-9-15(10-8-13)26-22(31)20-14(2)25-23(28-21(20)18-11-12-19(34-18)30(32)33)29-24-27-16-5-3-4-6-17(16)35-24/h3-12,20-21H,2H2,1H3,(H,26,31)(H2,25,27,28,29)/p+1/t20-,21-/m0/s1