3-[[4-azanyl-5-(2-methoxyphenyl)carbonyl-pyrimidin-2-yl]amino]piperidine-1-carboxylic acid

Systemtic Name: 3-[[4-azanyl-5-(2-methoxyphenyl)carbonyl-pyrimidin-2-yl]amino]piperidine-1-carboxylic acid Openeye Name: 3-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylic acid CAS Name: 3-[[4-amino-5-[(2-methoxyphenyl)-oxomethyl]-2-pyrimidinyl]amino]-1-piperidinecarboxylic acid IUPAC Name: 3-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylic acid Traditional Name: 3-[(4-amino-5-o-anisoyl-pyrimidin-2-yl)amino]piperidine-1-carboxylic acid Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)C2=CN=C(N=C2N)NC3CCCN(C3)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C(=O)C2=CN=C(N=C2N)NC3CCCN(C3)C(=O)O

InChI

InChI=1S/C18H21N5O4/c1-27-14-7-3-2-6-12(14)15(24)13-9-20-17(22-16(13)19)21-11-5-4-8-23(10-11)18(25)26/h2-3,6-7,9,11H,4-5,8,10H2,1H3,(H,25,26)(H3,19,20,21,22)