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

Systemtic Name: N-butyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-5-nitro-pyrimidin-4-amine Openeye Name: N-butyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-5-nitro-pyrimidin-4-amine CAS Name: N-butyl-6-[4-(4-methoxyphenyl)-1-piperazinyl]-N-methyl-5-nitro-4-pyrimidinamine IUPAC Name: N-butyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-5-nitropyrimidin-4-amine Traditional Name: butyl-[6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C20H28N6O3 MolecularWeight: 400.47472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N6O3/c1-4-5-10-23(2)19-18(26(27)28)20(22-15-21-19)25-13-11-24(12-14-25)16-6-8-17(29-3)9-7-16/h6-9,15H,4-5,10-14H2,1-3H3