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

Systemtic Name: 2-[[(1R,2S)-2-azanylcyclohexyl]amino]-4-(1H-indazol-5-ylamino)pyrimidine-5-carboxamide Openeye Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1H-indazol-5-ylamino)pyrimidine-5-carboxamide CAS Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1H-indazol-5-ylamino)-5-pyrimidinecarboxamide IUPAC Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1H-indazol-5-ylamino)pyrimidine-5-carboxamide Traditional Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1H-indazol-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)NN=C4)C(=O)N

Isomeric SMILES

C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)NN=C4)C(=O)N

InChI

InChI=1S/C18H22N8O/c19-13-3-1-2-4-15(13)24-18-21-9-12(16(20)27)17(25-18)23-11-5-6-14-10(7-11)8-22-26-14/h5-9,13,15H,1-4,19H2,(H2,20,27)(H,22,26)(H2,21,23,24,25)/t13-,15+/m0/s1