3-(dimethylamino)-N-[4-methyl-3-[[6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]amino]phenyl]benzamide

Systemtic Name: 3-(dimethylamino)-N-[4-methyl-3-[[6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]amino]phenyl]benzamide Openeye Name: 3-(dimethylamino)-N-[4-methyl-3-[[6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]amino]phenyl]benzamide CAS Name: 3-(dimethylamino)-N-[4-methyl-3-[[6-[3-(1-pyrrolidinyl)propylamino]-4-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: 3-(dimethylamino)-N-[4-methyl-3-[[6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]amino]phenyl]benzamide Traditional Name: 3-(dimethylamino)-N-[4-methyl-3-[[6-(3-pyrrolidinopropylamino)pyrimidin-4-yl]amino]phenyl]benzamide Formula: C27H35N7O MolecularWeight: 473.6131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N(C)C)NC3=CC(=NC=N3)NCCCN4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N(C)C)NC3=CC(=NC=N3)NCCCN4CCCC4

InChI

InChI=1S/C27H35N7O/c1-20-10-11-22(31-27(35)21-8-6-9-23(16-21)33(2)3)17-24(20)32-26-18-25(29-19-30-26)28-12-7-15-34-13-4-5-14-34/h6,8-11,16-19H,4-5,7,12-15H2,1-3H3,(H,31,35)(H2,28,29,30,32)