4-[2-(1,3-benzodioxol-5-ylamino)-5-methyl-pyrimidin-4-yl]-N-(2-oxidanyl-1-phenyl-ethyl)-1H-pyrrole-2-carboxamide

Systemtic Name: 4-[2-(1,3-benzodioxol-5-ylamino)-5-methyl-pyrimidin-4-yl]-N-(2-oxidanyl-1-phenyl-ethyl)-1H-pyrrole-2-carboxamide Openeye Name: 4-[2-(1,3-benzodioxol-5-ylamino)-5-methyl-pyrimidin-4-yl]-N-(2-hydroxy-1-phenyl-ethyl)-1H-pyrrole-2-carboxamide CAS Name: 4-[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyrimidinyl]-N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide IUPAC Name: 4-[2-(1,3-benzodioxol-5-ylamino)-5-methylpyrimidin-4-yl]-N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide Traditional Name: 4-[2-(1,3-benzodioxol-5-ylamino)-5-methyl-pyrimidin-4-yl]-N-(2-hydroxy-1-phenyl-ethyl)-1H-pyrrole-2-carboxamide Formula: C25H23N5O4 MolecularWeight: 457.48122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)NC(CO)C3=CC=CC=C3)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)NC(CO)C3=CC=CC=C3)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H23N5O4/c1-15-11-27-25(28-18-7-8-21-22(10-18)34-14-33-21)30-23(15)17-9-19(26-12-17)24(32)29-20(13-31)16-5-3-2-4-6-16/h2-12,20,26,31H,13-14H2,1H3,(H,29,32)(H,27,28,30)