methyl 3-[[5-cyclopropyl-4-[3-(thiophen-2-ylcarbonylamino)propylamino]pyrimidin-2-yl]amino]benzoate

Systemtic Name: methyl 3-[[5-cyclopropyl-4-[3-(thiophen-2-ylcarbonylamino)propylamino]pyrimidin-2-yl]amino]benzoate Openeye Name: methyl 3-[[5-cyclopropyl-4-[3-(thiophene-2-carbonylamino)propylamino]pyrimidin-2-yl]amino]benzoate CAS Name: 3-[[5-cyclopropyl-4-[3-[[oxo(thiophen-2-yl)methyl]amino]propylamino]-2-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[5-cyclopropyl-4-[3-(thiophene-2-carbonylamino)propylamino]pyrimidin-2-yl]amino]benzoate Traditional Name: 3-[[5-cyclopropyl-4-[3-(2-thenoylamino)propylamino]pyrimidin-2-yl]amino]benzoic acid methyl ester Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC2=NC=C(C(=N2)NCCCNC(=O)C3=CC=CS3)C4CC4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC2=NC=C(C(=N2)NCCCNC(=O)C3=CC=CS3)C4CC4

InChI

InChI=1S/C23H25N5O3S/c1-31-22(30)16-5-2-6-17(13-16)27-23-26-14-18(15-8-9-15)20(28-23)24-10-4-11-25-21(29)19-7-3-12-32-19/h2-3,5-7,12-15H,4,8-11H2,1H3,(H,25,29)(H2,24,26,27,28)