2-[[(1R,2S)-2-azanylcyclohexyl]amino]-4-[(2-methylquinolin-6-yl)amino]pyrimidine-5-carboxamide

Systemtic Name: 2-[[(1R,2S)-2-azanylcyclohexyl]amino]-4-[(2-methylquinolin-6-yl)amino]pyrimidine-5-carboxamide Openeye Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(2-methyl-6-quinolyl)amino]pyrimidine-5-carboxamide CAS Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(2-methyl-6-quinolinyl)amino]-5-pyrimidinecarboxamide IUPAC Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(2-methylquinolin-6-yl)amino]pyrimidine-5-carboxamide Traditional Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(2-methyl-6-quinolyl)amino]pyrimidine-5-carboxamide Formula: C21H25N7O MolecularWeight: 391.4695

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=C(C=C2)NC3=NC(=NC=C3C(=O)N)NC4CCCCC4N

Isomeric SMILES

CC1=NC2=C(C=C1)C=C(C=C2)NC3=NC(=NC=C3C(=O)N)N[C@@H]4CCCC[C@@H]4N

InChI

InChI=1S/C21H25N7O/c1-12-6-7-13-10-14(8-9-17(13)25-12)26-20-15(19(23)29)11-24-21(28-20)27-18-5-3-2-4-16(18)22/h6-11,16,18H,2-5,22H2,1H3,(H2,23,29)(H2,24,26,27,28)/t16-,18+/m0/s1