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

Systemtic Name: N-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-butyl-6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: butyl-[6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C20H28N6O2 MolecularWeight: 384.47532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC(=C3C)C

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC(=C3C)C

InChI

InChI=1S/C20H28N6O2/c1-4-5-9-21-19-18(26(27)28)20(23-14-22-19)25-12-10-24(11-13-25)17-8-6-7-15(2)16(17)3/h6-8,14H,4-5,9-13H2,1-3H3,(H,21,22,23)