(2R)-2-[[5-nitro-6-[phenyl(propan-2-yl)amino]pyrimidin-4-yl]amino]-3-phenyl-propanoate

Systemtic Name: (2R)-2-[[5-nitro-6-[phenyl(propan-2-yl)amino]pyrimidin-4-yl]amino]-3-phenyl-propanoate Openeye Name: (2R)-2-[[6-(N-isopropylanilino)-5-nitro-pyrimidin-4-yl]amino]-3-phenyl-propanoate CAS Name: (2R)-2-[[5-nitro-6-(N-propan-2-ylanilino)-4-pyrimidinyl]amino]-3-phenylpropanoate IUPAC Name: (2R)-2-[[5-nitro-6-(N-propan-2-ylanilino)pyrimidin-4-yl]amino]-3-phenylpropanoate Traditional Name: (2R)-2-[[6-(N-isopropylanilino)-5-nitro-pyrimidin-4-yl]amino]-3-phenyl-propionate Formula: C22H22N5O4- MolecularWeight: 420.44118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC(CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N[C@H](CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C22H23N5O4/c1-15(2)26(17-11-7-4-8-12-17)21-19(27(30)31)20(23-14-24-21)25-18(22(28)29)13-16-9-5-3-6-10-16/h3-12,14-15,18H,13H2,1-2H3,(H,28,29)(H,23,24,25)/p-1/t18-/m1/s1