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

Systemtic Name: N2-[3-(dimethylamino)propyl]-6-[(3S)-3-methylpiperidin-1-yl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-[3-(dimethylamino)propyl]-6-[(3S)-3-methyl-1-piperidyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-[3-(dimethylamino)propyl]-6-[(3S)-3-methyl-1-piperidinyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-[3-(dimethylamino)propyl]-6-[(3S)-3-methylpiperidin-1-yl]-5-nitropyrimidine-2,4-diamine Traditional Name: 3-[[4-amino-6-[(3S)-3-methylpiperidino]-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-amine Formula: C15H27N7O2 MolecularWeight: 337.42058

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC(=N2)NCCCN(C)C)N)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C(=NC(=N2)NCCCN(C)C)N)[N+](=O)[O-]

InChI

InChI=1S/C15H27N7O2/c1-11-6-4-9-21(10-11)14-12(22(23)24)13(16)18-15(19-14)17-7-5-8-20(2)3/h11H,4-10H2,1-3H3,(H3,16,17,18,19)/t11-/m0/s1