5-nitro-N4-(1-phenylethyl)-N6-prop-2-enyl-pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-(1-phenylethyl)-N6-prop-2-enyl-pyrimidine-4,6-diamine Openeye Name: N6-allyl-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(1-phenylethyl)-N6-prop-2-enylpyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-(1-phenylethyl)-6-N-prop-2-enylpyrimidine-4,6-diamine Traditional Name: allyl-[5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]amine Formula: C15H17N5O2 MolecularWeight: 299.32778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5O2/c1-3-9-16-14-13(20(21)22)15(18-10-17-14)19-11(2)12-7-5-4-6-8-12/h3-8,10-11H,1,9H2,2H3,(H2,16,17,18,19)