4-[5-(aminomethyl)-2-(1-oxidanylbutan-2-yl)pyrimidin-4-yl]-N-[(1S)-2-oxidanyl-1-phenyl-ethyl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-[5-(aminomethyl)-2-(1-oxidanylbutan-2-yl)pyrimidin-4-yl]-N-[(1S)-2-oxidanyl-1-phenyl-ethyl]-1H-pyrrole-2-carboxamide Openeye Name: 4-[5-(aminomethyl)-2-[1-(hydroxymethyl)propyl]pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenyl-ethyl]-1H-pyrrole-2-carboxamide CAS Name: 4-[5-(aminomethyl)-2-(1-hydroxybutan-2-yl)-4-pyrimidinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-[5-(aminomethyl)-2-(1-hydroxybutan-2-yl)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide Traditional Name: 4-[5-(aminomethyl)-2-(1-methylolpropyl)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenyl-ethyl]-1H-pyrrole-2-carboxamide Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)C1=NC=C(C(=N1)C2=CNC(=C2)C(=O)NC(CO)C3=CC=CC=C3)CN

Isomeric SMILES

CCC(CO)C1=NC=C(C(=N1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC=CC=C3)CN

InChI

InChI=1S/C22H27N5O3/c1-2-14(12-28)21-25-11-17(9-23)20(27-21)16-8-18(24-10-16)22(30)26-19(13-29)15-6-4-3-5-7-15/h3-8,10-11,14,19,24,28-29H,2,9,12-13,23H2,1H3,(H,26,30)/t14?,19-/m1/s1