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

Systemtic Name: N4-(4-methylphenyl)-5-nitro-N6-prop-2-enyl-pyrimidine-4,6-diamine Openeye Name: N6-allyl-5-nitro-N4-(p-tolyl)pyrimidine-4,6-diamine CAS Name: N4-(4-methylphenyl)-5-nitro-N6-prop-2-enylpyrimidine-4,6-diamine IUPAC Name: 4-N-(4-methylphenyl)-5-nitro-6-N-prop-2-enylpyrimidine-4,6-diamine Traditional Name: allyl-[5-nitro-6-(p-toluidino)pyrimidin-4-yl]amine Formula: C14H15N5O2 MolecularWeight: 285.3012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC=C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC=C)[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O2/c1-3-8-15-13-12(19(20)21)14(17-9-16-13)18-11-6-4-10(2)5-7-11/h3-7,9H,1,8H2,2H3,(H2,15,16,17,18)