3-[4-(4-methylpiperazin-1-yl)carbonyloxyphenyl]-2-[[5-[methyl(pyridin-3-ylsulfonyl)amino]pyrimidin-4-yl]amino]propanoic acid

Systemtic Name: 3-[4-(4-methylpiperazin-1-yl)carbonyloxyphenyl]-2-[[5-[methyl(pyridin-3-ylsulfonyl)amino]pyrimidin-4-yl]amino]propanoic acid Openeye Name: 3-[4-(4-methylpiperazine-1-carbonyl)oxyphenyl]-2-[[5-[methyl(3-pyridylsulfonyl)amino]pyrimidin-4-yl]amino]propanoic acid CAS Name: 3-[4-[(4-methyl-1-piperazinyl)-oxomethoxy]phenyl]-2-[[5-[methyl(3-pyridinylsulfonyl)amino]-4-pyrimidinyl]amino]propanoic acid IUPAC Name: 3-[4-(4-methylpiperazine-1-carbonyl)oxyphenyl]-2-[[5-[methyl(pyridin-3-ylsulfonyl)amino]pyrimidin-4-yl]amino]propanoic acid Traditional Name: 3-[4-(4-methylpiperazine-1-carbonyl)oxyphenyl]-2-[[5-[methyl(3-pyridylsulfonyl)amino]pyrimidin-4-yl]amino]propionic acid Formula: C25H29N7O6S MolecularWeight: 555.60606

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)OC2=CC=C(C=C2)CC(C(=O)O)NC3=NC=NC=C3N(C)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

CN1CCN(CC1)C(=O)OC2=CC=C(C=C2)CC(C(=O)O)NC3=NC=NC=C3N(C)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C25H29N7O6S/c1-30-10-12-32(13-11-30)25(35)38-19-7-5-18(6-8-19)14-21(24(33)34)29-23-22(16-27-17-28-23)31(2)39(36,37)20-4-3-9-26-15-20/h3-9,15-17,21H,10-14H2,1-2H3,(H,33,34)(H,27,28,29)