4-[6-[4-(benzotriazol-1-yl)piperidin-1-yl]-5-nitro-pyrimidin-4-yl]-2,6-dimethyl-morpholine

Systemtic Name: 4-[6-[4-(benzotriazol-1-yl)piperidin-1-yl]-5-nitro-pyrimidin-4-yl]-2,6-dimethyl-morpholine Openeye Name: 4-[6-[4-(benzotriazol-1-yl)-1-piperidyl]-5-nitro-pyrimidin-4-yl]-2,6-dimethyl-morpholine CAS Name: 4-[6-[4-(1-benzotriazolyl)-1-piperidinyl]-5-nitro-4-pyrimidinyl]-2,6-dimethylmorpholine IUPAC Name: 4-[6-[4-(benzotriazol-1-yl)piperidin-1-yl]-5-nitropyrimidin-4-yl]-2,6-dimethylmorpholine Traditional Name: 4-[6-[4-(benzotriazol-1-yl)piperidino]-5-nitro-pyrimidin-4-yl]-2,6-dimethyl-morpholine Formula: C21H26N8O3 MolecularWeight: 438.48294

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)N4C5=CC=CC=C5N=N4

Isomeric SMILES

CC1CN(CC(O1)C)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H26N8O3/c1-14-11-27(12-15(2)32-14)21-19(29(30)31)20(22-13-23-21)26-9-7-16(8-10-26)28-18-6-4-3-5-17(18)24-25-28/h3-6,13-16H,7-12H2,1-2H3