N-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-5-nitro-pyrimidin-4-amine Openeye Name: N-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-5-nitro-pyrimidin-4-amine CAS Name: N-butyl-6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-N-methyl-5-nitro-4-pyrimidinamine IUPAC Name: N-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-5-nitropyrimidin-4-amine Traditional Name: butyl-[6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C21H30N6O2 MolecularWeight: 398.5019

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC(=C3C)C

Isomeric SMILES

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC(=C3C)C

InChI

InChI=1S/C21H30N6O2/c1-5-6-10-24(4)20-19(27(28)29)21(23-15-22-20)26-13-11-25(12-14-26)18-9-7-8-16(2)17(18)3/h7-9,15H,5-6,10-14H2,1-4H3