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

Systemtic Name: 2-[[(1R,2S)-2-azanylcyclohexyl]amino]-4-[(3-pyridazin-4-ylphenyl)amino]pyrimidine-5-carboxamide Openeye Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(3-pyridazin-4-ylanilino)pyrimidine-5-carboxamide CAS Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(4-pyridazinyl)anilino]-5-pyrimidinecarboxamide IUPAC Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(3-pyridazin-4-ylanilino)pyrimidine-5-carboxamide Traditional Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(3-pyridazin-4-ylanilino)pyrimidine-5-carboxamide Formula: C21H24N8O MolecularWeight: 404.46826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)NC2=NC=C(C(=N2)NC3=CC=CC(=C3)C4=CN=NC=C4)C(=O)N

Isomeric SMILES

C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC=CC(=C3)C4=CN=NC=C4)C(=O)N

InChI

InChI=1S/C21H24N8O/c22-17-6-1-2-7-18(17)28-21-24-12-16(19(23)30)20(29-21)27-15-5-3-4-13(10-15)14-8-9-25-26-11-14/h3-5,8-12,17-18H,1-2,6-7,22H2,(H2,23,30)(H2,24,27,28,29)/t17-,18+/m0/s1