2-[[(1R,2S)-2-azanylcyclohexyl]amino]-4-[(2-methylquinolin-8-yl)amino]pyrimidine-5-carboxamide

Systemtic Name: 2-[[(1R,2S)-2-azanylcyclohexyl]amino]-4-[(2-methylquinolin-8-yl)amino]pyrimidine-5-carboxamide Openeye Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(2-methyl-8-quinolyl)amino]pyrimidine-5-carboxamide CAS Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(2-methyl-8-quinolinyl)amino]-5-pyrimidinecarboxamide IUPAC Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(2-methylquinolin-8-yl)amino]pyrimidine-5-carboxamide Traditional Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(2-methyl-8-quinolyl)amino]pyrimidine-5-carboxamide Formula: C21H25N7O MolecularWeight: 391.4695

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=NC(=NC=C3C(=O)N)NC4CCCCC4N)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=NC(=NC=C3C(=O)N)N[C@@H]4CCCC[C@@H]4N)C=C1

InChI

InChI=1S/C21H25N7O/c1-12-9-10-13-5-4-8-17(18(13)25-12)26-20-14(19(23)29)11-24-21(28-20)27-16-7-3-2-6-15(16)22/h4-5,8-11,15-16H,2-3,6-7,22H2,1H3,(H2,23,29)(H2,24,26,27,28)/t15-,16+/m0/s1