N,N-dimethyl-N'-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)-N'-(phenylmethyl)ethane-1,2-diamine

Systemtic Name: N,N-dimethyl-N'-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)-N'-(phenylmethyl)ethane-1,2-diamine Openeye Name: N'-benzyl-N,N-dimethyl-N'-[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]ethane-1,2-diamine CAS Name: N,N-dimethyl-N'-[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]-N'-(phenylmethyl)ethane-1,2-diamine IUPAC Name: N'-benzyl-N,N-dimethyl-N'-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)ethane-1,2-diamine Traditional Name: benzyl-(2-dimethylaminoethyl)-(5-nitro-6-piperidino-pyrimidin-4-yl)amine Formula: C20H28N6O2 MolecularWeight: 384.47532

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CN(C)CCN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C20H28N6O2/c1-23(2)13-14-25(15-17-9-5-3-6-10-17)20-18(26(27)28)19(21-16-22-20)24-11-7-4-8-12-24/h3,5-6,9-10,16H,4,7-8,11-15H2,1-2H3