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

Systemtic Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-hexadecyl-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-hexadecyl-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-N-hexadecyl-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-hexadecyl-5-nitropyrimidin-4-amine Traditional Name: cetyl-[6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C32H52N6O2 MolecularWeight: 552.79428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC(=C3C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC(=C3C)C

InChI

InChI=1S/C32H52N6O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-33-31-30(38(39)40)32(35-26-34-31)37-24-22-36(23-25-37)29-20-18-19-27(2)28(29)3/h18-20,26H,4-17,21-25H2,1-3H3,(H,33,34,35)