N-butyl-6-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-butyl-6-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-5-nitro-pyrimidin-4-amine Openeye Name: N-butyl-6-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-5-nitro-pyrimidin-4-amine CAS Name: N-butyl-6-[4-(3-chlorophenyl)-1-piperazinyl]-N-methyl-5-nitro-4-pyrimidinamine IUPAC Name: N-butyl-6-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-5-nitropyrimidin-4-amine Traditional Name: butyl-[6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C19H25ClN6O2 MolecularWeight: 404.8938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25ClN6O2/c1-3-4-8-23(2)18-17(26(27)28)19(22-14-21-18)25-11-9-24(10-12-25)16-7-5-6-15(20)13-16/h5-7,13-14H,3-4,8-12H2,1-2H3