2-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-[(4-methoxy-3-methyl-phenyl)methylamino]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide

Systemtic Name: 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-[(4-methoxy-3-methyl-phenyl)methylamino]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide Openeye Name: 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-[(4-methoxy-3-methyl-phenyl)methylamino]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide CAS Name: 2-[2-(hydroxymethyl)-1-pyrrolidinyl]-4-[(4-methoxy-3-methylphenyl)methylamino]-N-(2-pyrimidinylmethyl)-5-pyrimidinecarboxamide IUPAC Name: 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-[(4-methoxy-3-methylphenyl)methylamino]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide Traditional Name: 4-[(4-methoxy-3-methyl-benzyl)amino]-2-(2-methylolpyrrolidino)-N-(2-pyrimidylmethyl)pyrimidine-5-carboxamide Formula: C24H29N7O3 MolecularWeight: 463.53216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC2=NC(=NC=C2C(=O)NCC3=NC=CC=N3)N4CCCC4CO)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CNC2=NC(=NC=C2C(=O)NCC3=NC=CC=N3)N4CCCC4CO)OC

InChI

InChI=1S/C24H29N7O3/c1-16-11-17(6-7-20(16)34-2)12-27-22-19(23(33)28-14-21-25-8-4-9-26-21)13-29-24(30-22)31-10-3-5-18(31)15-32/h4,6-9,11,13,18,32H,3,5,10,12,14-15H2,1-2H3,(H,28,33)(H,27,29,30)