N4-(3,5-dimethylphenyl)-5-nitro-N6-prop-2-enyl-pyrimidine-4,6-diamine

Systemtic Name: N4-(3,5-dimethylphenyl)-5-nitro-N6-prop-2-enyl-pyrimidine-4,6-diamine Openeye Name: N6-allyl-N4-(3,5-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3,5-dimethylphenyl)-5-nitro-N6-prop-2-enylpyrimidine-4,6-diamine IUPAC Name: 4-N-(3,5-dimethylphenyl)-5-nitro-6-N-prop-2-enylpyrimidine-4,6-diamine Traditional Name: allyl-[6-(3,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C15H17N5O2 MolecularWeight: 299.32778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5O2/c1-4-5-16-14-13(20(21)22)15(18-9-17-14)19-12-7-10(2)6-11(3)8-12/h4,6-9H,1,5H2,2-3H3,(H2,16,17,18,19)