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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)NC2=NC=C(C(=N2)NC3=CC=CC4=C3C=CC=N4)C(=O)N

Isomeric SMILES

C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC=CC4=C3C=CC=N4)C(=O)N

InChI

InChI=1S/C20H23N7O/c21-14-6-1-2-7-17(14)26-20-24-11-13(18(22)28)19(27-20)25-16-9-3-8-15-12(16)5-4-10-23-15/h3-5,8-11,14,17H,1-2,6-7,21H2,(H2,22,28)(H2,24,25,26,27)/t14-,17+/m0/s1