6-methyl-N2-[4-(5-nitrothiophen-2-yl)butan-2-yl]-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-methyl-N2-[4-(5-nitrothiophen-2-yl)butan-2-yl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-methyl-N2-[1-methyl-3-(5-nitro-2-thienyl)propyl]-1,3,5-triazine-2,4-diamine CAS Name: 6-methyl-N2-[4-(5-nitro-2-thiophenyl)butan-2-yl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-methyl-2-N-[4-(5-nitrothiophen-2-yl)butan-2-yl]-1,3,5-triazine-2,4-diamine Traditional Name: (4-amino-6-methyl-s-triazin-2-yl)-[1-methyl-3-(5-nitro-2-thienyl)propyl]amine Formula: C12H16N6O2S MolecularWeight: 308.35944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=N1)NC(C)CCC2=CC=C(S2)[N+](=O)[O-])N

Isomeric SMILES

CC1=NC(=NC(=N1)NC(C)CCC2=CC=C(S2)[N+](=O)[O-])N

InChI

InChI=1S/C12H16N6O2S/c1-7(14-12-16-8(2)15-11(13)17-12)3-4-9-5-6-10(21-9)18(19)20/h5-7H,3-4H2,1-2H3,(H3,13,14,15,16,17)