(2S)-1-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-(phenylmethyl)pyrimidin-2-yl]-N-methyl-azetidine-2-carboxamide

Systemtic Name: (2S)-1-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-(phenylmethyl)pyrimidin-2-yl]-N-methyl-azetidine-2-carboxamide Openeye Name: (2S)-1-[4-benzyl-6-[(5-ethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methyl-azetidine-2-carboxamide CAS Name: (2S)-1-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-(phenylmethyl)-2-pyrimidinyl]-N-methyl-2-azetidinecarboxamide IUPAC Name: (2S)-1-[4-benzyl-6-[(5-ethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylazetidine-2-carboxamide Traditional Name: (2S)-1-[4-benzyl-6-[(5-ethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methyl-azetidine-2-carboxamide Formula: C21H25N7O MolecularWeight: 391.4695

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1)NC2=NC(=NC(=C2)CC3=CC=CC=C3)N4CCC4C(=O)NC

Isomeric SMILES

CCC1=CC(=NN1)NC2=NC(=NC(=C2)CC3=CC=CC=C3)N4CC[C@H]4C(=O)NC

InChI

InChI=1S/C21H25N7O/c1-3-15-12-19(27-26-15)24-18-13-16(11-14-7-5-4-6-8-14)23-21(25-18)28-10-9-17(28)20(29)22-2/h4-8,12-13,17H,3,9-11H2,1-2H3,(H,22,29)(H2,23,24,25,26,27)/t17-/m0/s1