N4-methyl-5-nitro-N4-(phenylmethyl)-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-methyl-5-nitro-N4-(phenylmethyl)-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N4-methyl-5-nitro-N6-[2-(1-piperidyl)ethyl]pyrimidine-4,6-diamine CAS Name: N4-methyl-5-nitro-N4-(phenylmethyl)-N6-[2-(1-piperidinyl)ethyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-4-N-methyl-5-nitro-6-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Traditional Name: benzyl-methyl-[5-nitro-6-(2-piperidinoethylamino)pyrimidin-4-yl]amine Formula: C19H26N6O2 MolecularWeight: 370.44874

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NCCN3CCCCC3

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NCCN3CCCCC3

InChI

InChI=1S/C19H26N6O2/c1-23(14-16-8-4-2-5-9-16)19-17(25(26)27)18(21-15-22-19)20-10-13-24-11-6-3-7-12-24/h2,4-5,8-9,15H,3,6-7,10-14H2,1H3,(H,20,21,22)