N,N-bis(2-methylpropyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N,N-bis(2-methylpropyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N,N-diisobutyl-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: N,N-bis(2-methylpropyl)-5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: N,N-bis(2-methylpropyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: diisobutyl-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C22H32N6O2 MolecularWeight: 412.52848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N6O2/c1-17(2)14-27(15-18(3)4)22-20(28(29)30)21(23-16-24-22)26-12-10-25(11-13-26)19-8-6-5-7-9-19/h5-9,16-18H,10-15H2,1-4H3