[4-[2-[[5-[methyl(pyridin-3-ylsulfonyl)amino]pyrimidin-4-yl]amino]-3-oxidanylidene-3-propan-2-yloxy-propyl]phenyl] 4-methylpiperazine-1-carboxylate

Systemtic Name: [4-[2-[[5-[methyl(pyridin-3-ylsulfonyl)amino]pyrimidin-4-yl]amino]-3-oxidanylidene-3-propan-2-yloxy-propyl]phenyl] 4-methylpiperazine-1-carboxylate Openeye Name: [4-[3-isopropoxy-2-[[5-[methyl(3-pyridylsulfonyl)amino]pyrimidin-4-yl]amino]-3-oxo-propyl]phenyl] 4-methylpiperazine-1-carboxylate CAS Name: 4-methyl-1-piperazinecarboxylic acid [4-[2-[[5-[methyl(3-pyridinylsulfonyl)amino]-4-pyrimidinyl]amino]-3-oxo-3-propan-2-yloxypropyl]phenyl] ester IUPAC Name: [4-[2-[[5-[methyl(pyridin-3-ylsulfonyl)amino]pyrimidin-4-yl]amino]-3-oxo-3-propan-2-yloxypropyl]phenyl] 4-methylpiperazine-1-carboxylate Traditional Name: 4-methylpiperazine-1-carboxylic acid [4-[3-isopropoxy-3-keto-2-[[5-[methyl(3-pyridylsulfonyl)amino]pyrimidin-4-yl]amino]propyl]phenyl] ester Formula: C28H35N7O6S MolecularWeight: 597.6858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CC1=CC=C(C=C1)OC(=O)N2CCN(CC2)C)NC3=NC=NC=C3N(C)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

CC(C)OC(=O)C(CC1=CC=C(C=C1)OC(=O)N2CCN(CC2)C)NC3=NC=NC=C3N(C)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C28H35N7O6S/c1-20(2)40-27(36)24(16-21-7-9-22(10-8-21)41-28(37)35-14-12-33(3)13-15-35)32-26-25(18-30-19-31-26)34(4)42(38,39)23-6-5-11-29-17-23/h5-11,17-20,24H,12-16H2,1-4H3,(H,30,31,32)