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

Systemtic Name: 2-[[(1R,2S)-2-azanylcyclohexyl]amino]-4-[(3-pyridin-3-ylphenyl)amino]pyrimidine-5-carboxamide Openeye Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(3-pyridyl)anilino]pyrimidine-5-carboxamide CAS Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(3-pyridinyl)anilino]-5-pyrimidinecarboxamide IUPAC Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(3-pyridin-3-ylanilino)pyrimidine-5-carboxamide Traditional Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(3-pyridyl)anilino]pyrimidine-5-carboxamide Formula: C22H25N7O MolecularWeight: 403.4802

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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=CC=C4)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C22H25N7O/c23-18-8-1-2-9-19(18)28-22-26-13-17(20(24)30)21(29-22)27-16-7-3-5-14(11-16)15-6-4-10-25-12-15/h3-7,10-13,18-19H,1-2,8-9,23H2,(H2,24,30)(H2,26,27,28,29)/t18-,19+/m0/s1