ethyl 2-[3-azanyl-6-(4-methylphenyl)-2-phenylazanyl-4H-pyrimidin-4-yl]-3-(4-nitrophenyl)-3-oxidanylidene-propanoate

Systemtic Name: ethyl 2-[3-azanyl-6-(4-methylphenyl)-2-phenylazanyl-4H-pyrimidin-4-yl]-3-(4-nitrophenyl)-3-oxidanylidene-propanoate Openeye Name: ethyl 2-[3-amino-2-anilino-6-(p-tolyl)-4H-pyrimidin-4-yl]-3-(4-nitrophenyl)-3-oxo-propanoate CAS Name: 2-[3-amino-2-anilino-6-(4-methylphenyl)-4H-pyrimidin-4-yl]-3-(4-nitrophenyl)-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 2-[3-amino-2-anilino-6-(4-methylphenyl)-4H-pyrimidin-4-yl]-3-(4-nitrophenyl)-3-oxopropanoate Traditional Name: 2-[3-amino-2-anilino-6-(p-tolyl)-4H-pyrimidin-4-yl]-3-keto-3-(4-nitrophenyl)propionic acid ethyl ester Formula: C28H27N5O5 MolecularWeight: 513.54448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1C=C(N=C(N1N)NC2=CC=CC=C2)C3=CC=C(C=C3)C)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C1C=C(N=C(N1N)NC2=CC=CC=C2)C3=CC=C(C=C3)C)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H27N5O5/c1-3-38-27(35)25(26(34)20-13-15-22(16-14-20)33(36)37)24-17-23(19-11-9-18(2)10-12-19)31-28(32(24)29)30-21-7-5-4-6-8-21/h4-17,24-25H,3,29H2,1-2H3,(H,30,31)