N2-[3-(dimethylamino)propyl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-2,4-diamine

Systemtic Name: N2-[3-(dimethylamino)propyl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-2,4-diamine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N2-[3-(dimethylamino)propyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-[3-(dimethylamino)propyl]-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine-2,4-diamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-2-N-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4-diamine Traditional Name: 3-[[4-amino-6-(4-benzylpiperazino)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-amine Formula: C20H30N8O2 MolecularWeight: 414.5046

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CN(C)CCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H30N8O2/c1-25(2)10-6-9-22-20-23-18(21)17(28(29)30)19(24-20)27-13-11-26(12-14-27)15-16-7-4-3-5-8-16/h3-5,7-8H,6,9-15H2,1-2H3,(H3,21,22,23,24)