N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(pyrrolidin-3-ylamino)benzamide

Systemtic Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(pyrrolidin-3-ylamino)benzamide Openeye Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-(pyrrolidin-3-ylamino)benzamide CAS Name: N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-4-(3-pyrrolidinylamino)benzamide IUPAC Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(pyrrolidin-3-ylamino)benzamide Traditional Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-(pyrrolidin-3-ylamino)benzamide Formula: C27H27N7O MolecularWeight: 465.54958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3CCNC3)NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3CCNC3)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C27H27N7O/c1-18-4-7-22(32-26(35)19-5-8-21(9-6-19)31-23-10-13-29-17-23)15-25(18)34-27-30-14-11-24(33-27)20-3-2-12-28-16-20/h2-9,11-12,14-16,23,29,31H,10,13,17H2,1H3,(H,32,35)(H,30,33,34)