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

Systemtic Name: 3H-1,3-benzoxazol-2-ylidene-[(4S,5R)-4-(4-methoxyphenyl)-6-methylidene-5-[(4-phenoxyphenyl)carbamoyl]-4,5-dihydro-1H-pyrimidin-2-yl]azanium Openeye Name: 3H-1,3-benzoxazol-2-ylidene-[(4S,5R)-4-(4-methoxyphenyl)-6-methylene-5-[(4-phenoxyphenyl)carbamoyl]-4,5-dihydro-1H-pyrimidin-2-yl]ammonium CAS Name: 3H-1,3-benzoxazol-2-ylidene-[(4S,5R)-4-(4-methoxyphenyl)-6-methylene-5-[oxo-(4-phenoxyanilino)methyl]-4,5-dihydro-1H-pyrimidin-2-yl]ammonium IUPAC Name: 3H-1,3-benzoxazol-2-ylidene-[(4S,5R)-4-(4-methoxyphenyl)-6-methylidene-5-[(4-phenoxyphenyl)carbamoyl]-4,5-dihydro-1H-pyrimidin-2-yl]azanium Traditional Name: 3H-1,3-benzoxazol-2-ylidene-[(4S,5R)-4-(4-methoxyphenyl)-6-methylene-5-[(4-phenoxyphenyl)carbamoyl]-4,5-dihydro-1H-pyrimidin-2-yl]ammonium Formula: C32H28N5O4+ MolecularWeight: 546.59582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=C)NC(=N2)[NH+]=C3NC4=CC=CC=C4O3)C(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2[C@H](C(=C)NC(=N2)[NH+]=C3NC4=CC=CC=C4O3)C(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C32H27N5O4/c1-20-28(30(38)34-22-14-18-25(19-15-22)40-24-8-4-3-5-9-24)29(21-12-16-23(39-2)17-13-21)36-31(33-20)37-32-35-26-10-6-7-11-27(26)41-32/h3-19,28-29H,1H2,2H3,(H,34,38)(H2,33,35,36,37)/p+1/t28-,29+/m0/s1