N6-(3-methoxypropyl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(3-methoxypropyl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine Openeye Name: N6-(3-methoxypropyl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine CAS Name: N6-(3-methoxypropyl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-methoxypropyl)-5-nitro-4-N-(1-phenylethyl)pyrimidine-4,6-diamine Traditional Name: 3-methoxypropyl-[5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]amine Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NCCCOC

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NCCCOC

InChI

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