N6-(3-methoxypropyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(3-methoxypropyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(3-methoxypropyl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-methoxypropyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(3-methoxypropyl)-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NCCCOC

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NCCCOC

InChI

InChI=1S/C16H21N5O3/c1-20(11-13-7-4-3-5-8-13)16-14(21(22)23)15(18-12-19-16)17-9-6-10-24-2/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,17,18,19)