4-[4-[(4-azanyl-5-ethanoyl-pyrimidin-2-yl)amino]phenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[4-[(4-azanyl-5-ethanoyl-pyrimidin-2-yl)amino]phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[4-[(5-acetyl-4-amino-pyrimidin-2-yl)amino]phenyl]piperazine-1-carboxylic acid CAS Name: 4-[4-[(5-acetyl-4-amino-2-pyrimidinyl)amino]phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[4-[(5-acetyl-4-aminopyrimidin-2-yl)amino]phenyl]piperazine-1-carboxylic acid Traditional Name: 4-[4-[(5-acetyl-4-amino-pyrimidin-2-yl)amino]phenyl]piperazine-1-carboxylic acid Formula: C17H20N6O3 MolecularWeight: 356.3791

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN=C(N=C1N)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)O

Isomeric SMILES

CC(=O)C1=CN=C(N=C1N)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)O

InChI

InChI=1S/C17H20N6O3/c1-11(24)14-10-19-16(21-15(14)18)20-12-2-4-13(5-3-12)22-6-8-23(9-7-22)17(25)26/h2-5,10H,6-9H2,1H3,(H,25,26)(H3,18,19,20,21)