3-[[4-[3-(cyclobutylcarbonylamino)propylamino]-5-cyclopropyl-pyrimidin-2-yl]amino]-N-(2-dimethylaminoethyl)-N-methyl-benzamide

Systemtic Name: 3-[[4-[3-(cyclobutylcarbonylamino)propylamino]-5-cyclopropyl-pyrimidin-2-yl]amino]-N-(2-dimethylaminoethyl)-N-methyl-benzamide Openeye Name: 3-[[4-[3-(cyclobutanecarbonylamino)propylamino]-5-cyclopropyl-pyrimidin-2-yl]amino]-N-(2-dimethylaminoethyl)-N-methyl-benzamide CAS Name: 3-[[4-[3-[[cyclobutyl(oxo)methyl]amino]propylamino]-5-cyclopropyl-2-pyrimidinyl]amino]-N-(2-dimethylaminoethyl)-N-methylbenzamide IUPAC Name: 3-[[4-[3-(cyclobutanecarbonylamino)propylamino]-5-cyclopropylpyrimidin-2-yl]amino]-N-(2-dimethylaminoethyl)-N-methylbenzamide Traditional Name: 3-[[4-[3-(cyclobutanecarbonylamino)propylamino]-5-cyclopropyl-pyrimidin-2-yl]amino]-N-(2-dimethylaminoethyl)-N-methyl-benzamide Formula: C27H39N7O2 MolecularWeight: 493.64426

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C)C(=O)C1=CC(=CC=C1)NC2=NC=C(C(=N2)NCCCNC(=O)C3CCC3)C4CC4

Isomeric SMILES

CN(C)CCN(C)C(=O)C1=CC(=CC=C1)NC2=NC=C(C(=N2)NCCCNC(=O)C3CCC3)C4CC4

InChI

InChI=1S/C27H39N7O2/c1-33(2)15-16-34(3)26(36)21-9-5-10-22(17-21)31-27-30-18-23(19-11-12-19)24(32-27)28-13-6-14-29-25(35)20-7-4-8-20/h5,9-10,17-20H,4,6-8,11-16H2,1-3H3,(H,29,35)(H2,28,30,31,32)