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

Systemtic Name: N6-butyl-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine Openeye Name: N6-butyl-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine CAS Name: N6-butyl-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-5-nitro-4-N-(1-phenylethyl)pyrimidine-4,6-diamine Traditional Name: butyl-[5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]amine Formula: C16H21N5O2 MolecularWeight: 315.37024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=NC=N1)NC(C)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C(=NC=N1)NC(C)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O2/c1-3-4-10-17-15-14(21(22)23)16(19-11-18-15)20-12(2)13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3,(H2,17,18,19,20)