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

Systemtic Name: 2-[[(1S,2R)-2-azanylcyclohexyl]amino]-4-(quinolin-8-ylamino)pyrimidine-5-carboxamide Openeye Name: 2-[[(1S,2R)-2-aminocyclohexyl]amino]-4-(8-quinolylamino)pyrimidine-5-carboxamide CAS Name: 2-[[(1S,2R)-2-aminocyclohexyl]amino]-4-(8-quinolinylamino)-5-pyrimidinecarboxamide IUPAC Name: 2-[[(1S,2R)-2-aminocyclohexyl]amino]-4-(quinolin-8-ylamino)pyrimidine-5-carboxamide Traditional Name: 2-[[(1S,2R)-2-aminocyclohexyl]amino]-4-(8-quinolylamino)pyrimidine-5-carboxamide Formula: C20H23N7O MolecularWeight: 377.44292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)NC2=NC=C(C(=N2)NC3=CC=CC4=C3N=CC=C4)C(=O)N

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)N)NC2=NC=C(C(=N2)NC3=CC=CC4=C3N=CC=C4)C(=O)N

InChI

InChI=1S/C20H23N7O/c21-14-7-1-2-8-15(14)26-20-24-11-13(18(22)28)19(27-20)25-16-9-3-5-12-6-4-10-23-17(12)16/h3-6,9-11,14-15H,1-2,7-8,21H2,(H2,22,28)(H2,24,25,26,27)/t14-,15+/m1/s1