2-[[(1R,2S)-2-azanylcyclohexyl]amino]-4-(1H-indol-6-ylamino)pyrimidine-5-carboxamide

Systemtic Name: 2-[[(1R,2S)-2-azanylcyclohexyl]amino]-4-(1H-indol-6-ylamino)pyrimidine-5-carboxamide Openeye Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1H-indol-6-ylamino)pyrimidine-5-carboxamide CAS Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1H-indol-6-ylamino)-5-pyrimidinecarboxamide IUPAC Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1H-indol-6-ylamino)pyrimidine-5-carboxamide Traditional Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1H-indol-6-ylamino)pyrimidine-5-carboxamide Formula: C19H23N7O MolecularWeight: 365.43222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N7O/c20-14-3-1-2-4-15(14)25-19-23-10-13(17(21)27)18(26-19)24-12-6-5-11-7-8-22-16(11)9-12/h5-10,14-15,22H,1-4,20H2,(H2,21,27)(H2,23,24,25,26)/t14-,15+/m0/s1