5-nitro-N4-phenyl-N6-prop-2-enyl-pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-phenyl-N6-prop-2-enyl-pyrimidine-4,6-diamine Openeye Name: N6-allyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-phenyl-N6-prop-2-enylpyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine Traditional Name: allyl-(6-anilino-5-nitro-pyrimidin-4-yl)amine Formula: C13H13N5O2 MolecularWeight: 271.27462

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC=C2

Isomeric SMILES

C=CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC=C2

InChI

InChI=1S/C13H13N5O2/c1-2-8-14-12-11(18(19)20)13(16-9-15-12)17-10-6-4-3-5-7-10/h2-7,9H,1,8H2,(H2,14,15,16,17)