5-nitro-N4-[[(2R)-oxolan-2-yl]methyl]-2-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-[[(2R)-oxolan-2-yl]methyl]-2-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-4,6-diamine Openeye Name: 2-(4-benzyl-1-piperidyl)-5-nitro-N4-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-[[(2R)-2-oxolanyl]methyl]-2-[4-(phenylmethyl)-1-piperidinyl]pyrimidine-4,6-diamine IUPAC Name: 2-(4-benzylpiperidin-1-yl)-5-nitro-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-[[(2R)-tetrahydrofuran-2-yl]methyl]amine Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](OC1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H28N6O3/c22-19-18(27(28)29)20(23-14-17-7-4-12-30-17)25-21(24-19)26-10-8-16(9-11-26)13-15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-14H2,(H3,22,23,24,25)/t17-/m1/s1