N-[(2,4-dichlorophenyl)methyl]-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]-1,3-dihydroisoindole-5-carboxamide

Systemtic Name: N-[(2,4-dichlorophenyl)methyl]-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]-1,3-dihydroisoindole-5-carboxamide Openeye Name: N-[(2,4-dichlorophenyl)methyl]-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]isoindoline-5-carboxamide CAS Name: N-[(2,4-dichlorophenyl)methyl]-2-[2-methyl-6-(methylamino)-4-pyrimidinyl]-1,3-dihydroisoindole-5-carboxamide IUPAC Name: N-[(2,4-dichlorophenyl)methyl]-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]-1,3-dihydroisoindole-5-carboxamide Traditional Name: N-(2,4-dichlorobenzyl)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]isoindoline-5-carboxamide Formula: C22H21Cl2N5O MolecularWeight: 442.34104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC)N2CC3=C(C2)C=C(C=C3)C(=O)NCC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=NC(=CC(=N1)NC)N2CC3=C(C2)C=C(C=C3)C(=O)NCC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H21Cl2N5O/c1-13-27-20(25-2)9-21(28-13)29-11-16-4-3-14(7-17(16)12-29)22(30)26-10-15-5-6-18(23)8-19(15)24/h3-9H,10-12H2,1-2H3,(H,26,30)(H,25,27,28)