4-[[4-[3-(2-azanyl-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl)propoxy]phenyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 4-[[4-[3-(2-azanyl-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl)propoxy]phenyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: 4-[4-[3-(2-amino-4-oxo-6-phenyl-1H-pyrimidin-5-yl)propoxy]anilino]-4-oxo-but-2-enoic acid CAS Name: 4-[4-[3-(2-amino-4-oxo-6-phenyl-1H-pyrimidin-5-yl)propoxy]anilino]-4-oxo-2-butenoic acid IUPAC Name: 4-[4-[3-(2-amino-4-oxo-6-phenyl-1H-pyrimidin-5-yl)propoxy]anilino]-4-oxobut-2-enoic acid Traditional Name: 4-[4-[3-(2-amino-4-keto-6-phenyl-1H-pyrimidin-5-yl)propoxy]anilino]-4-keto-but-2-enoic acid Formula: C23H22N4O5 MolecularWeight: 434.44458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N)CCCOC3=CC=C(C=C3)NC(=O)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N)CCCOC3=CC=C(C=C3)NC(=O)C=CC(=O)O

InChI

InChI=1S/C23H22N4O5/c24-23-26-21(15-5-2-1-3-6-15)18(22(31)27-23)7-4-14-32-17-10-8-16(9-11-17)25-19(28)12-13-20(29)30/h1-3,5-6,8-13H,4,7,14H2,(H,25,28)(H,29,30)(H3,24,26,27,31)