N-[1-(3-chlorophenyl)-2-oxidanyl-ethyl]-4-[6-(1-oxidanylbutan-2-ylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide

Systemtic Name: N-[1-(3-chlorophenyl)-2-oxidanyl-ethyl]-4-[6-(1-oxidanylbutan-2-ylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide Openeye Name: N-[1-(3-chlorophenyl)-2-hydroxy-ethyl]-4-[6-[1-(hydroxymethyl)propylamino]pyrimidin-4-yl]-1H-pyrrole-2-carboxamide CAS Name: N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[6-(1-hydroxybutan-2-ylamino)-4-pyrimidinyl]-1H-pyrrole-2-carboxamide IUPAC Name: N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[6-(1-hydroxybutan-2-ylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide Traditional Name: N-[1-(3-chlorophenyl)-2-hydroxy-ethyl]-4-[6-(1-methylolpropylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide Formula: C21H24ClN5O3 MolecularWeight: 429.89996

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC=NC(=C1)C2=CNC(=C2)C(=O)NC(CO)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCC(CO)NC1=NC=NC(=C1)C2=CNC(=C2)C(=O)NC(CO)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H24ClN5O3/c1-2-16(10-28)26-20-8-17(24-12-25-20)14-7-18(23-9-14)21(30)27-19(11-29)13-4-3-5-15(22)6-13/h3-9,12,16,19,23,28-29H,2,10-11H2,1H3,(H,27,30)(H,24,25,26)