2-[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)amino]-4-oxidanylidene-6-propan-2-yl-1H-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)amino]-4-oxidanylidene-6-propan-2-yl-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)amino]-6-isopropyl-4-oxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)amino]-4-oxo-6-propan-2-yl-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)amino]-4-oxo-6-propan-2-yl-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)amino]-6-isopropyl-4-keto-1H-pyrimidin-5-yl]acetic acid Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)NC3=NC(=O)C(=C(N3)C(C)C)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)NC3=NC(=O)C(=C(N3)C(C)C)CC(=O)O

InChI

InChI=1S/C18H21N5O3/c1-8(2)15-11(7-14(24)25)16(26)22-18(21-15)23-17-19-12-5-9(3)10(4)6-13(12)20-17/h5-6,8H,7H2,1-4H3,(H,24,25)(H3,19,20,21,22,23,26)