2-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-[(4-methoxyphenyl)methylamino]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide

Systemtic Name: 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-[(4-methoxyphenyl)methylamino]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide Openeye Name: 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-[(4-methoxyphenyl)methylamino]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide CAS Name: 2-[2-(hydroxymethyl)-1-pyrrolidinyl]-4-[(4-methoxyphenyl)methylamino]-N-(2-pyrimidinylmethyl)-5-pyrimidinecarboxamide IUPAC Name: 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-[(4-methoxyphenyl)methylamino]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide Traditional Name: 2-(2-methylolpyrrolidino)-4-(p-anisylamino)-N-(2-pyrimidylmethyl)pyrimidine-5-carboxamide Formula: C23H27N7O3 MolecularWeight: 449.50558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC(=NC=C2C(=O)NCC3=NC=CC=N3)N4CCCC4CO

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC(=NC=C2C(=O)NCC3=NC=CC=N3)N4CCCC4CO

InChI

InChI=1S/C23H27N7O3/c1-33-18-7-5-16(6-8-18)12-26-21-19(22(32)27-14-20-24-9-3-10-25-20)13-28-23(29-21)30-11-2-4-17(30)15-31/h3,5-10,13,17,31H,2,4,11-12,14-15H2,1H3,(H,27,32)(H,26,28,29)