5-methyl-6-[(3R)-3-methyl-4-[2-(2-methylpyrrolidin-1-yl)-6-phenyl-pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 5-methyl-6-[(3R)-3-methyl-4-[2-(2-methylpyrrolidin-1-yl)-6-phenyl-pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 5-methyl-6-[(3R)-3-methyl-4-[2-(2-methylpyrrolidin-1-yl)-6-phenyl-pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 5-methyl-6-[(3R)-3-methyl-4-[2-(2-methyl-1-pyrrolidinyl)-6-phenyl-4-pyrimidinyl]-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 5-methyl-6-[(3R)-3-methyl-4-[2-(2-methylpyrrolidin-1-yl)-6-phenylpyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 5-methyl-6-[(3R)-3-methyl-4-[2-(2-methylpyrrolidino)-6-phenyl-pyrimidin-4-yl]piperazino]nicotinic acid Formula: C27H32N6O2 MolecularWeight: 472.58198

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN1C2=NC(=CC(=N2)N3CCN(CC3C)C4=C(C=C(C=N4)C(=O)O)C)C5=CC=CC=C5

Isomeric SMILES

C[C@@H]1CN(CCN1C2=NC(=NC(=C2)C3=CC=CC=C3)N4CCCC4C)C5=C(C=C(C=N5)C(=O)O)C

InChI

InChI=1S/C27H32N6O2/c1-18-14-22(26(34)35)16-28-25(18)31-12-13-32(20(3)17-31)24-15-23(21-9-5-4-6-10-21)29-27(30-24)33-11-7-8-19(33)2/h4-6,9-10,14-16,19-20H,7-8,11-13,17H2,1-3H3,(H,34,35)/t19?,20-/m1/s1