N-[4-methyl-6-[1-[(3-nitrophenyl)methoxy]butan-2-ylamino]-1,3,5-triazin-2-yl]propanamide

Systemtic Name: N-[4-methyl-6-[1-[(3-nitrophenyl)methoxy]butan-2-ylamino]-1,3,5-triazin-2-yl]propanamide Openeye Name: N-[4-methyl-6-[1-[(3-nitrophenyl)methoxymethyl]propylamino]-1,3,5-triazin-2-yl]propanamide CAS Name: N-[4-methyl-6-[1-[(3-nitrophenyl)methoxy]butan-2-ylamino]-1,3,5-triazin-2-yl]propanamide IUPAC Name: N-[4-methyl-6-[1-[(3-nitrophenyl)methoxy]butan-2-ylamino]-1,3,5-triazin-2-yl]propanamide Traditional Name: N-[4-methyl-6-[1-[(3-nitrobenzyl)oxymethyl]propylamino]-s-triazin-2-yl]propionamide Formula: C18H24N6O4 MolecularWeight: 388.42096

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COCC1=CC(=CC=C1)[N+](=O)[O-])NC2=NC(=NC(=N2)NC(=O)CC)C

Isomeric SMILES

CCC(COCC1=CC(=CC=C1)[N+](=O)[O-])NC2=NC(=NC(=N2)NC(=O)CC)C

InChI

InChI=1S/C18H24N6O4/c1-4-14(11-28-10-13-7-6-8-15(9-13)24(26)27)21-17-19-12(3)20-18(23-17)22-16(25)5-2/h6-9,14H,4-5,10-11H2,1-3H3,(H2,19,20,21,22,23,25)