N-[4-methyl-6-[4-(5-nitrothiophen-2-yl)butan-2-ylamino]-1,3,5-triazin-2-yl]ethanamide

Systemtic Name: N-[4-methyl-6-[4-(5-nitrothiophen-2-yl)butan-2-ylamino]-1,3,5-triazin-2-yl]ethanamide Openeye Name: N-[4-methyl-6-[[1-methyl-3-(5-nitro-2-thienyl)propyl]amino]-1,3,5-triazin-2-yl]acetamide CAS Name: N-[4-methyl-6-[4-(5-nitro-2-thiophenyl)butan-2-ylamino]-1,3,5-triazin-2-yl]acetamide IUPAC Name: N-[4-methyl-6-[4-(5-nitrothiophen-2-yl)butan-2-ylamino]-1,3,5-triazin-2-yl]acetamide Traditional Name: N-[4-methyl-6-[[1-methyl-3-(5-nitro-2-thienyl)propyl]amino]-s-triazin-2-yl]acetamide Formula: C14H18N6O3S MolecularWeight: 350.39612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N6O3S/c1-8(4-5-11-6-7-12(24-11)20(22)23)15-13-16-9(2)17-14(19-13)18-10(3)21/h6-8H,4-5H2,1-3H3,(H2,15,16,17,18,19,21)