(3R)-3-[[2-azanyl-6-methyl-5-(phenylmethyl)pyrimidin-4-yl]amino]-3-phenyl-propanoate

Systemtic Name: (3R)-3-[[2-azanyl-6-methyl-5-(phenylmethyl)pyrimidin-4-yl]amino]-3-phenyl-propanoate Openeye Name: (3R)-3-[(2-amino-5-benzyl-6-methyl-pyrimidin-4-yl)amino]-3-phenyl-propanoate CAS Name: (3R)-3-[[2-amino-6-methyl-5-(phenylmethyl)-4-pyrimidinyl]amino]-3-phenylpropanoate IUPAC Name: (3R)-3-[(2-amino-5-benzyl-6-methylpyrimidin-4-yl)amino]-3-phenylpropanoate Traditional Name: (3R)-3-[(2-amino-5-benzyl-6-methyl-pyrimidin-4-yl)amino]-3-phenyl-propionate Formula: C21H21N4O2- MolecularWeight: 361.41704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)NC(CC(=O)[O-])C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)N)N[C@H](CC(=O)[O-])C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2/c1-14-17(12-15-8-4-2-5-9-15)20(25-21(22)23-14)24-18(13-19(26)27)16-10-6-3-7-11-16/h2-11,18H,12-13H2,1H3,(H,26,27)(H3,22,23,24,25)/p-1/t18-/m1/s1