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

Systemtic Name: N4-methyl-5-nitro-N4-(phenylmethyl)-2-piperidin-1-yl-N6-propan-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-isopropyl-N4-methyl-5-nitro-2-(1-piperidyl)pyrimidine-4,6-diamine CAS Name: N4-methyl-5-nitro-N4-(phenylmethyl)-2-(1-piperidinyl)-N6-propan-2-ylpyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-4-N-methyl-5-nitro-2-piperidin-1-yl-6-N-propan-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-(isopropylamino)-5-nitro-2-piperidino-pyrimidin-4-yl]-methyl-amine Formula: C20H28N6O2 MolecularWeight: 384.47532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C(=NC(=N1)N2CCCCC2)N(C)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=C(C(=NC(=N1)N2CCCCC2)N(C)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H28N6O2/c1-15(2)21-18-17(26(27)28)19(24(3)14-16-10-6-4-7-11-16)23-20(22-18)25-12-8-5-9-13-25/h4,6-7,10-11,15H,5,8-9,12-14H2,1-3H3,(H,21,22,23)