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

Systemtic Name: (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(phenylmethyl)pyrimidin-2-yl]azetidine-2-carboxamide Openeye Name: (2S)-1-[4-benzyl-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-2-carboxamide CAS Name: (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(phenylmethyl)-2-pyrimidinyl]-2-azetidinecarboxamide IUPAC Name: (2S)-1-[4-benzyl-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-2-carboxamide Traditional Name: (2S)-1-[4-benzyl-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-2-carboxamide Formula: C21H23N7O MolecularWeight: 389.45362

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NN2)NC3=NC(=NC(=C3)CC4=CC=CC=C4)N5CCC5C(=O)N

Isomeric SMILES

C1CN([C@@H]1C(=O)N)C2=NC(=CC(=N2)NC3=NNC(=C3)C4CC4)CC5=CC=CC=C5

InChI

InChI=1S/C21H23N7O/c22-20(29)17-8-9-28(17)21-23-15(10-13-4-2-1-3-5-13)11-18(25-21)24-19-12-16(26-27-19)14-6-7-14/h1-5,11-12,14,17H,6-10H2,(H2,22,29)(H2,23,24,25,26,27)/t17-/m0/s1