2-[[(1R,2S)-2-azanylcyclohexyl]amino]-4-[(3-oxidanylidene-4H-1,4-benzoxazin-7-yl)amino]pyrimidine-5-carboxamide

Systemtic Name: 2-[[(1R,2S)-2-azanylcyclohexyl]amino]-4-[(3-oxidanylidene-4H-1,4-benzoxazin-7-yl)amino]pyrimidine-5-carboxamide Openeye Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(3-oxo-4H-1,4-benzoxazin-7-yl)amino]pyrimidine-5-carboxamide CAS Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(3-oxo-4H-1,4-benzoxazin-7-yl)amino]-5-pyrimidinecarboxamide IUPAC Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(3-oxo-4H-1,4-benzoxazin-7-yl)amino]pyrimidine-5-carboxamide Traditional Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(3-keto-4H-1,4-benzoxazin-7-yl)amino]pyrimidine-5-carboxamide Formula: C19H23N7O3 MolecularWeight: 397.43102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)NC(=O)CO4)C(=O)N

Isomeric SMILES

C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)NC(=O)CO4)C(=O)N

InChI

InChI=1S/C19H23N7O3/c20-12-3-1-2-4-13(12)25-19-22-8-11(17(21)28)18(26-19)23-10-5-6-14-15(7-10)29-9-16(27)24-14/h5-8,12-13H,1-4,9,20H2,(H2,21,28)(H,24,27)(H2,22,23,25,26)/t12-,13+/m0/s1