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

Systemtic Name: 4-[5-chloranyl-2-(1-oxidanylbutan-2-ylamino)pyrimidin-4-yl]-N-methyl-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]-N-methyl-benzamide CAS Name: 4-[5-chloro-2-(1-hydroxybutan-2-ylamino)-4-pyrimidinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-N-methylbenzamide IUPAC Name: 4-[5-chloro-2-(1-hydroxybutan-2-ylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-N-methylbenzamide Traditional Name: 4-[5-chloro-2-(1-methylolpropylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenyl-ethyl]-N-methyl-benzamide Formula: C24H27ClN4O3 MolecularWeight: 454.94918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27ClN4O3/c1-3-19(14-30)27-24-26-13-20(25)22(28-24)17-9-11-18(12-10-17)23(32)29(2)21(15-31)16-7-5-4-6-8-16/h4-13,19,21,30-31H,3,14-15H2,1-2H3,(H,26,27,28)/t19?,21-/m1/s1