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

Systemtic Name: N6-(3-methylbutyl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine Openeye Name: N6-isopentyl-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine CAS Name: N6-(3-methylbutyl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-methylbutyl)-5-nitro-4-N-(1-phenylethyl)pyrimidine-4,6-diamine Traditional Name: isoamyl-[5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]amine Formula: C17H23N5O2 MolecularWeight: 329.39682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C(=NC=N1)NC(C)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC1=C(C(=NC=N1)NC(C)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O2/c1-12(2)9-10-18-16-15(22(23)24)17(20-11-19-16)21-13(3)14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3,(H2,18,19,20,21)