N-(2-oxidanyl-1-phenyl-ethyl)-4-(6-piperazin-1-ylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide

Systemtic Name: N-(2-oxidanyl-1-phenyl-ethyl)-4-(6-piperazin-1-ylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide Openeye Name: N-(2-hydroxy-1-phenyl-ethyl)-4-(6-piperazin-1-ylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide CAS Name: N-(2-hydroxy-1-phenylethyl)-4-[6-(1-piperazinyl)-4-pyrimidinyl]-1H-pyrrole-2-carboxamide IUPAC Name: N-(2-hydroxy-1-phenylethyl)-4-(6-piperazin-1-ylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide Traditional Name: N-(2-hydroxy-1-phenyl-ethyl)-4-(6-piperazinopyrimidin-4-yl)-1H-pyrrole-2-carboxamide Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC=NC(=C2)C3=CNC(=C3)C(=O)NC(CO)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1)C2=NC=NC(=C2)C3=CNC(=C3)C(=O)NC(CO)C4=CC=CC=C4

InChI

InChI=1S/C21H24N6O2/c28-13-19(15-4-2-1-3-5-15)26-21(29)18-10-16(12-23-18)17-11-20(25-14-24-17)27-8-6-22-7-9-27/h1-5,10-12,14,19,22-23,28H,6-9,13H2,(H,26,29)