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

Systemtic Name: 6-[(3S)-3-methylpiperidin-1-yl]-5-nitro-N2-phenethyl-pyrimidine-2,4-diamine Openeye Name: 6-[(3S)-3-methyl-1-piperidyl]-5-nitro-N2-phenethyl-pyrimidine-2,4-diamine CAS Name: 6-[(3S)-3-methyl-1-piperidinyl]-5-nitro-N2-phenethylpyrimidine-2,4-diamine IUPAC Name: 6-[(3S)-3-methylpiperidin-1-yl]-5-nitro-2-N-phenethylpyrimidine-2,4-diamine Traditional Name: [4-amino-6-[(3S)-3-methylpiperidino]-5-nitro-pyrimidin-2-yl]-phenethyl-amine Formula: C18H24N6O2 MolecularWeight: 356.42216

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O2/c1-13-6-5-11-23(12-13)17-15(24(25)26)16(19)21-18(22-17)20-10-9-14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H3,19,20,21,22)/t13-/m0/s1