(3R)-3-[[2-azanyl-6-methyl-5-(naphthalen-1-ylmethyl)pyrimidin-4-yl]amino]-3-phenyl-propanoate

Systemtic Name: (3R)-3-[[2-azanyl-6-methyl-5-(naphthalen-1-ylmethyl)pyrimidin-4-yl]amino]-3-phenyl-propanoate Openeye Name: (3R)-3-[[2-amino-6-methyl-5-(1-naphthylmethyl)pyrimidin-4-yl]amino]-3-phenyl-propanoate CAS Name: (3R)-3-[[2-amino-6-methyl-5-(1-naphthalenylmethyl)-4-pyrimidinyl]amino]-3-phenylpropanoate IUPAC Name: (3R)-3-[[2-amino-6-methyl-5-(naphthalen-1-ylmethyl)pyrimidin-4-yl]amino]-3-phenylpropanoate Traditional Name: (3R)-3-[[2-amino-6-methyl-5-(1-naphthylmethyl)pyrimidin-4-yl]amino]-3-phenyl-propionate Formula: C25H23N4O2- MolecularWeight: 411.47572

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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=CC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=NC(=N1)N)N[C@H](CC(=O)[O-])C2=CC=CC=C2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H24N4O2/c1-16-21(14-19-12-7-11-17-8-5-6-13-20(17)19)24(29-25(26)27-16)28-22(15-23(30)31)18-9-3-2-4-10-18/h2-13,22H,14-15H2,1H3,(H,30,31)(H3,26,27,28,29)/p-1/t22-/m1/s1