4-[5-chloranyl-2-(1-oxidanylbutan-2-ylamino)pyrimidin-4-yl]-N-[(1S)-2-oxidanyl-1-phenyl-ethyl]benzamide

Systemtic Name: 4-[5-chloranyl-2-(1-oxidanylbutan-2-ylamino)pyrimidin-4-yl]-N-[(1S)-2-oxidanyl-1-phenyl-ethyl]benzamide Openeye Name: 4-[5-chloro-2-[1-(hydroxymethyl)propylamino]pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenyl-ethyl]benzamide CAS Name: 4-[5-chloro-2-(1-hydroxybutan-2-ylamino)-4-pyrimidinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide IUPAC Name: 4-[5-chloro-2-(1-hydroxybutan-2-ylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide Traditional Name: 4-[5-chloro-2-(1-methylolpropylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenyl-ethyl]benzamide Formula: C23H25ClN4O3 MolecularWeight: 440.9226

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC=C(C(=N1)C2=CC=C(C=C2)C(=O)NC(CO)C3=CC=CC=C3)Cl

Isomeric SMILES

CCC(CO)NC1=NC=C(C(=N1)C2=CC=C(C=C2)C(=O)N[C@H](CO)C3=CC=CC=C3)Cl

InChI

InChI=1S/C23H25ClN4O3/c1-2-18(13-29)26-23-25-12-19(24)21(28-23)16-8-10-17(11-9-16)22(31)27-20(14-30)15-6-4-3-5-7-15/h3-12,18,20,29-30H,2,13-14H2,1H3,(H,27,31)(H,25,26,28)/t18?,20-/m1/s1