3-[(5-azanyl-6-chloranyl-pyrimidin-4-yl)amino]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[(5-azanyl-6-chloranyl-pyrimidin-4-yl)amino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 3-[(5-amino-6-chloro-pyrimidin-4-yl)amino]-2-(benzyloxycarbonylamino)propanoic acid CAS Name: 3-[(5-amino-6-chloro-4-pyrimidinyl)amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 3-[(5-amino-6-chloro-pyrimidin-4-yl)amino]-2-(benzyloxycarbonylamino)propionic acid Formula: C15H16ClN5O4 MolecularWeight: 365.77164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CNC2=C(C(=NC=N2)Cl)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CNC2=C(C(=NC=N2)Cl)N)C(=O)O

InChI

InChI=1S/C15H16ClN5O4/c16-12-11(17)13(20-8-19-12)18-6-10(14(22)23)21-15(24)25-7-9-4-2-1-3-5-9/h1-5,8,10H,6-7,17H2,(H,21,24)(H,22,23)(H,18,19,20)