2-[[(1R,2S)-2-azanylcyclohexyl]amino]-4-(3H-benzimidazol-5-ylamino)pyrimidine-5-carboxamide

Systemtic Name: 2-[[(1R,2S)-2-azanylcyclohexyl]amino]-4-(3H-benzimidazol-5-ylamino)pyrimidine-5-carboxamide Openeye Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(3H-benzimidazol-5-ylamino)pyrimidine-5-carboxamide CAS Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(3H-benzimidazol-5-ylamino)-5-pyrimidinecarboxamide IUPAC Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(3H-benzimidazol-5-ylamino)pyrimidine-5-carboxamide Traditional Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(3H-benzimidazol-5-ylamino)pyrimidine-5-carboxamide Formula: C18H22N8O MolecularWeight: 366.42028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)N=CN4)C(=O)N

Isomeric SMILES

C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)N=CN4)C(=O)N

InChI

InChI=1S/C18H22N8O/c19-12-3-1-2-4-13(12)25-18-21-8-11(16(20)27)17(26-18)24-10-5-6-14-15(7-10)23-9-22-14/h5-9,12-13H,1-4,19H2,(H2,20,27)(H,22,23)(H2,21,24,25,26)/t12-,13+/m0/s1