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

Systemtic Name: 3-[[2-azanyl-6-methyl-5-(naphthalen-1-ylmethyl)pyrimidin-4-yl]amino]-3-phenyl-propanoic acid Openeye Name: 3-[[2-amino-6-methyl-5-(1-naphthylmethyl)pyrimidin-4-yl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[2-amino-6-methyl-5-(1-naphthalenylmethyl)-4-pyrimidinyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[2-amino-6-methyl-5-(naphthalen-1-ylmethyl)pyrimidin-4-yl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[2-amino-6-methyl-5-(1-naphthylmethyl)pyrimidin-4-yl]amino]-3-phenyl-propionic acid Formula: C25H24N4O2 MolecularWeight: 412.48366

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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)NC(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)