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

Systemtic Name: 6-[(3S)-3-methylpiperidin-1-yl]-5-nitro-N2-prop-2-enyl-pyrimidine-2,4-diamine Openeye Name: N2-allyl-6-[(3S)-3-methyl-1-piperidyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-[(3S)-3-methyl-1-piperidinyl]-5-nitro-N2-prop-2-enylpyrimidine-2,4-diamine IUPAC Name: 6-[(3S)-3-methylpiperidin-1-yl]-5-nitro-2-N-prop-2-enylpyrimidine-2,4-diamine Traditional Name: allyl-[4-amino-6-[(3S)-3-methylpiperidino]-5-nitro-pyrimidin-2-yl]amine Formula: C13H20N6O2 MolecularWeight: 292.3369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N6O2/c1-3-6-15-13-16-11(14)10(19(20)21)12(17-13)18-7-4-5-9(2)8-18/h3,9H,1,4-8H2,2H3,(H3,14,15,16,17)/t9-/m0/s1