5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]-N-propan-2-yl-pyrimidin-4-amine

Systemtic Name: 5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]-N-propan-2-yl-pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-isopropyl-5-nitro-pyrimidin-4-amine CAS Name: 5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-N-propan-2-yl-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-5-nitro-N-propan-2-ylpyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-isopropyl-amine Formula: C18H24N6O2 MolecularWeight: 356.42216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H24N6O2/c1-14(2)21-17-16(24(25)26)18(20-13-19-17)23-10-8-22(9-11-23)12-15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H,19,20,21)