3-azanyl-3-[2-(naphthalen-1-ylamino)pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-azanyl-3-[2-(naphthalen-1-ylamino)pyrimidin-5-yl]propanoic acid Openeye Name: 3-amino-3-[2-(1-naphthylamino)pyrimidin-5-yl]propanoic acid CAS Name: 3-amino-3-[2-(1-naphthalenylamino)-5-pyrimidinyl]propanoic acid IUPAC Name: 3-amino-3-[2-(naphthalen-1-ylamino)pyrimidin-5-yl]propanoic acid Traditional Name: 3-amino-3-[2-(1-naphthylamino)pyrimidin-5-yl]propionic acid Formula: C17H16N4O2 MolecularWeight: 308.33454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC3=NC=C(C=N3)C(CC(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC3=NC=C(C=N3)C(CC(=O)O)N

InChI

InChI=1S/C17H16N4O2/c18-14(8-16(22)23)12-9-19-17(20-10-12)21-15-7-3-5-11-4-1-2-6-13(11)15/h1-7,9-10,14H,8,18H2,(H,22,23)(H,19,20,21)