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

Systemtic Name: N2-(3-methylbutyl)-6-[(3S)-3-methylpiperidin-1-yl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-isopentyl-6-[(3S)-3-methyl-1-piperidyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(3-methylbutyl)-6-[(3S)-3-methyl-1-piperidinyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(3-methylbutyl)-6-[(3S)-3-methylpiperidin-1-yl]-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-[(3S)-3-methylpiperidino]-5-nitro-pyrimidin-2-yl]-isoamyl-amine Formula: C15H26N6O2 MolecularWeight: 322.40594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H26N6O2/c1-10(2)6-7-17-15-18-13(16)12(21(22)23)14(19-15)20-8-4-5-11(3)9-20/h10-11H,4-9H2,1-3H3,(H3,16,17,18,19)/t11-/m0/s1