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

Systemtic Name: 5-nitro-N4-(4-phenoxyphenyl)-N6-prop-2-enyl-pyrimidine-4,6-diamine Openeye Name: N6-allyl-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(4-phenoxyphenyl)-N6-prop-2-enylpyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-(4-phenoxyphenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine Traditional Name: allyl-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amine Formula: C19H17N5O3 MolecularWeight: 363.36998

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

C=CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C19H17N5O3/c1-2-12-20-18-17(24(25)26)19(22-13-21-18)23-14-8-10-16(11-9-14)27-15-6-4-3-5-7-15/h2-11,13H,1,12H2,(H2,20,21,22,23)