6-methyl-5-(3-methylbutyl)-2-[(4-nitrophenyl)amino]-1,3-diazinan-4-one

Systemtic Name: 6-methyl-5-(3-methylbutyl)-2-[(4-nitrophenyl)amino]-1,3-diazinan-4-one Openeye Name: 5-isopentyl-6-methyl-2-(4-nitroanilino)hexahydropyrimidin-4-one CAS Name: 6-methyl-5-(3-methylbutyl)-2-(4-nitroanilino)-1,3-diazinan-4-one IUPAC Name: 6-methyl-5-(3-methylbutyl)-2-(4-nitroanilino)-1,3-diazinan-4-one Traditional Name: 5-isoamyl-6-methyl-2-(4-nitroanilino)hexahydropyrimidin-4-one Formula: C16H24N4O3 MolecularWeight: 320.38676

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)NC(N1)NC2=CC=C(C=C2)[N+](=O)[O-])CCC(C)C

Isomeric SMILES

CC1C(C(=O)NC(N1)NC2=CC=C(C=C2)[N+](=O)[O-])CCC(C)C

InChI

InChI=1S/C16H24N4O3/c1-10(2)4-9-14-11(3)17-16(19-15(14)21)18-12-5-7-13(8-6-12)20(22)23/h5-8,10-11,14,16-18H,4,9H2,1-3H3,(H,19,21)