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

Systemtic Name: 5-nitro-N6-phenyl-N4-(1-phenylethyl)pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-phenyl-N4-(1-phenylethyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-phenyl-N4-(1-phenylethyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-phenyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine Traditional Name: (6-anilino-5-nitro-pyrimidin-4-yl)-(1-phenylethyl)amine Formula: C18H17N5O2 MolecularWeight: 335.35988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3

InChI

InChI=1S/C18H17N5O2/c1-13(14-8-4-2-5-9-14)21-17-16(23(24)25)18(20-12-19-17)22-15-10-6-3-7-11-15/h2-13H,1H3,(H2,19,20,21,22)