(2R)-2-[(2,6-dimethyl-5-prop-2-enyl-pyrimidin-4-yl)amino]-3-phenyl-propanoate

Systemtic Name: (2R)-2-[(2,6-dimethyl-5-prop-2-enyl-pyrimidin-4-yl)amino]-3-phenyl-propanoate Openeye Name: (2R)-2-[(5-allyl-2,6-dimethyl-pyrimidin-4-yl)amino]-3-phenyl-propanoate CAS Name: (2R)-2-[(2,6-dimethyl-5-prop-2-enyl-4-pyrimidinyl)amino]-3-phenylpropanoate IUPAC Name: (2R)-2-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)amino]-3-phenylpropanoate Traditional Name: (2R)-2-[(5-allyl-2,6-dimethyl-pyrimidin-4-yl)amino]-3-phenyl-propionate Formula: C18H20N3O2- MolecularWeight: 310.3703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)NC(CC2=CC=CC=C2)C(=O)[O-])CC=C

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N[C@H](CC2=CC=CC=C2)C(=O)[O-])CC=C

InChI

InChI=1S/C18H21N3O2/c1-4-8-15-12(2)19-13(3)20-17(15)21-16(18(22)23)11-14-9-6-5-7-10-14/h4-7,9-10,16H,1,8,11H2,2-3H3,(H,22,23)(H,19,20,21)/p-1/t16-/m1/s1