2-[[(1R,2S)-2-azanylcyclohexyl]amino]-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-5-carboxamide

Systemtic Name: 2-[[(1R,2S)-2-azanylcyclohexyl]amino]-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-5-carboxamide Openeye Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-5-carboxamide CAS Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-pyrimidinecarboxamide IUPAC Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-5-carboxamide Traditional Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-5-carboxamide Formula: C19H24N6O3 MolecularWeight: 384.43226

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)OCCO4)C(=O)N

Isomeric SMILES

C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)OCCO4)C(=O)N

InChI

InChI=1S/C19H24N6O3/c20-13-3-1-2-4-14(13)24-19-22-10-12(17(21)26)18(25-19)23-11-5-6-15-16(9-11)28-8-7-27-15/h5-6,9-10,13-14H,1-4,7-8,20H2,(H2,21,26)(H2,22,23,24,25)/t13-,14+/m0/s1