(2S)-N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]azetidine-2-carboxamide

Systemtic Name: (2S)-N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]azetidine-2-carboxamide Openeye Name: (2S)-N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]azetidine-2-carboxamide CAS Name: (2S)-N-[4-[[6-(2-methoxyphenyl)-4-pyrimidinyl]amino]phenyl]-2-azetidinecarboxamide IUPAC Name: (2S)-N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]azetidine-2-carboxamide Traditional Name: (2S)-N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]azetidine-2-carboxamide Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4CCN4

Isomeric SMILES

COC1=CC=CC=C1C2=CC(=NC=N2)NC3=CC=C(C=C3)NC(=O)[C@@H]4CCN4

InChI

InChI=1S/C21H21N5O2/c1-28-19-5-3-2-4-16(19)18-12-20(24-13-23-18)25-14-6-8-15(9-7-14)26-21(27)17-10-11-22-17/h2-9,12-13,17,22H,10-11H2,1H3,(H,26,27)(H,23,24,25)/t17-/m0/s1