2-[[(1R,2S)-2-azanylcyclohexyl]amino]-4-[(4-methyl-3-pyrimidin-2-yl-phenyl)amino]pyrimidine-5-carboxamide

Systemtic Name: 2-[[(1R,2S)-2-azanylcyclohexyl]amino]-4-[(4-methyl-3-pyrimidin-2-yl-phenyl)amino]pyrimidine-5-carboxamide Openeye Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(4-methyl-3-pyrimidin-2-yl-anilino)pyrimidine-5-carboxamide CAS Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-methyl-3-(2-pyrimidinyl)anilino]-5-pyrimidinecarboxamide IUPAC Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(4-methyl-3-pyrimidin-2-ylanilino)pyrimidine-5-carboxamide Traditional Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-methyl-3-(2-pyrimidyl)anilino]pyrimidine-5-carboxamide Formula: C22H26N8O MolecularWeight: 418.49484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC=C2C(=O)N)NC3CCCCC3N)C4=NC=CC=N4

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC=C2C(=O)N)N[C@@H]3CCCC[C@@H]3N)C4=NC=CC=N4

InChI

InChI=1S/C22H26N8O/c1-13-7-8-14(11-15(13)20-25-9-4-10-26-20)28-21-16(19(24)31)12-27-22(30-21)29-18-6-3-2-5-17(18)23/h4,7-12,17-18H,2-3,5-6,23H2,1H3,(H2,24,31)(H2,27,28,29,30)/t17-,18+/m0/s1