2-[[(1R,2S)-2-azanylcyclohexyl]amino]-4-[(3-pyrazol-1-ylphenyl)amino]pyrimidine-5-carboxamide

Systemtic Name: 2-[[(1R,2S)-2-azanylcyclohexyl]amino]-4-[(3-pyrazol-1-ylphenyl)amino]pyrimidine-5-carboxamide Openeye Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(3-pyrazol-1-ylanilino)pyrimidine-5-carboxamide CAS Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(1-pyrazolyl)anilino]-5-pyrimidinecarboxamide IUPAC Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(3-pyrazol-1-ylanilino)pyrimidine-5-carboxamide Traditional Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(3-pyrazol-1-ylanilino)pyrimidine-5-carboxamide Formula: C20H24N8O MolecularWeight: 392.45756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)NC2=NC=C(C(=N2)NC3=CC=CC(=C3)N4C=CC=N4)C(=O)N

Isomeric SMILES

C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC=CC(=C3)N4C=CC=N4)C(=O)N

InChI

InChI=1S/C20H24N8O/c21-16-7-1-2-8-17(16)26-20-23-12-15(18(22)29)19(27-20)25-13-5-3-6-14(11-13)28-10-4-9-24-28/h3-6,9-12,16-17H,1-2,7-8,21H2,(H2,22,29)(H2,23,25,26,27)/t16-,17+/m0/s1