3-[4-[4-[(1H-benzimidazol-2-ylamino)methyl]piperidin-1-yl]-5-methyl-2-oxidanylidene-pyrimidin-1-yl]propanoic acid

Systemtic Name: 3-[4-[4-[(1H-benzimidazol-2-ylamino)methyl]piperidin-1-yl]-5-methyl-2-oxidanylidene-pyrimidin-1-yl]propanoic acid Openeye Name: 3-[4-[4-[(1H-benzimidazol-2-ylamino)methyl]-1-piperidyl]-5-methyl-2-oxo-pyrimidin-1-yl]propanoic acid CAS Name: 3-[4-[4-[(1H-benzimidazol-2-ylamino)methyl]-1-piperidinyl]-5-methyl-2-oxo-1-pyrimidinyl]propanoic acid IUPAC Name: 3-[4-[4-[(1H-benzimidazol-2-ylamino)methyl]piperidin-1-yl]-5-methyl-2-oxopyrimidin-1-yl]propanoic acid Traditional Name: 3-[4-[4-[(1H-benzimidazol-2-ylamino)methyl]piperidino]-2-keto-5-methyl-pyrimidin-1-yl]propionic acid Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N=C1N2CCC(CC2)CNC3=NC4=CC=CC=C4N3)CCC(=O)O

Isomeric SMILES

CC1=CN(C(=O)N=C1N2CCC(CC2)CNC3=NC4=CC=CC=C4N3)CCC(=O)O

InChI

InChI=1S/C21H26N6O3/c1-14-13-27(11-8-18(28)29)21(30)25-19(14)26-9-6-15(7-10-26)12-22-20-23-16-4-2-3-5-17(16)24-20/h2-5,13,15H,6-12H2,1H3,(H,28,29)(H2,22,23,24)