2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoic acid

Systemtic Name: 2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoic acid Openeye Name: 2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid CAS Name: 2-[5-[(2-methyl-1-oxopropyl)amino]-1H-indol-3-yl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid Traditional Name: 2-[5-(isobutyrylamino)-1H-indol-3-yl]-2-[4-(2-pyrimidyl)piperazino]acetic acid Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC(C)C(=O)NC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H26N6O3/c1-14(2)20(29)26-15-4-5-18-16(12-15)17(13-25-18)19(21(30)31)27-8-10-28(11-9-27)22-23-6-3-7-24-22/h3-7,12-14,19,25H,8-11H2,1-2H3,(H,26,29)(H,30,31)