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

Systemtic Name: 2-[[(1R,2S)-2-azanylcyclohexyl]amino]-4-(2H-benzotriazol-5-ylamino)pyrimidine-5-carboxamide Openeye Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(2H-benzotriazol-5-ylamino)pyrimidine-5-carboxamide CAS Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(2H-benzotriazol-5-ylamino)-5-pyrimidinecarboxamide IUPAC Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(2H-benzotriazol-5-ylamino)pyrimidine-5-carboxamide Traditional Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(2H-benzotriazol-5-ylamino)pyrimidine-5-carboxamide Formula: C17H21N9O MolecularWeight: 367.40834

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)NC2=NC=C(C(=N2)NC3=CC4=NNN=C4C=C3)C(=O)N

Isomeric SMILES

C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC4=NNN=C4C=C3)C(=O)N

InChI

InChI=1S/C17H21N9O/c18-11-3-1-2-4-12(11)22-17-20-8-10(15(19)27)16(23-17)21-9-5-6-13-14(7-9)25-26-24-13/h5-8,11-12H,1-4,18H2,(H2,19,27)(H,24,25,26)(H2,20,21,22,23)/t11-,12+/m0/s1