N-[3-[[5-methyl-4-[3-(thiophen-2-ylcarbonylamino)propylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide

Systemtic Name: N-[3-[[5-methyl-4-[3-(thiophen-2-ylcarbonylamino)propylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide Openeye Name: N-[3-[[5-methyl-4-[3-(thiophene-2-carbonylamino)propylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide CAS Name: N-[3-[[5-methyl-4-[3-[[oxo(thiophen-2-yl)methyl]amino]propylamino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide IUPAC Name: N-[3-[[5-methyl-4-[3-(thiophene-2-carbonylamino)propylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide Traditional Name: N-[3-[[5-methyl-4-[3-(2-thenoylamino)propylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide Formula: C24H29N7O2S MolecularWeight: 479.59776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1NCCCNC(=O)C2=CC=CS2)NC3=CC(=CC=C3)NC(=O)N4CCCC4

Isomeric SMILES

CC1=CN=C(N=C1NCCCNC(=O)C2=CC=CS2)NC3=CC(=CC=C3)NC(=O)N4CCCC4

InChI

InChI=1S/C24H29N7O2S/c1-17-16-27-23(30-21(17)25-10-6-11-26-22(32)20-9-5-14-34-20)28-18-7-4-8-19(15-18)29-24(33)31-12-2-3-13-31/h4-5,7-9,14-16H,2-3,6,10-13H2,1H3,(H,26,32)(H,29,33)(H2,25,27,28,30)