N4-(5-chloranyl-2-methyl-phenyl)-5-nitro-N6-prop-2-enyl-pyrimidine-4,6-diamine

Systemtic Name: N4-(5-chloranyl-2-methyl-phenyl)-5-nitro-N6-prop-2-enyl-pyrimidine-4,6-diamine Openeye Name: N6-allyl-N4-(5-chloro-2-methyl-phenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2-methylphenyl)-5-nitro-N6-prop-2-enylpyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloro-2-methylphenyl)-5-nitro-6-N-prop-2-enylpyrimidine-4,6-diamine Traditional Name: allyl-[6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]amine Formula: C14H14ClN5O2 MolecularWeight: 319.74626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClN5O2/c1-3-6-16-13-12(20(21)22)14(18-8-17-13)19-11-7-10(15)5-4-9(11)2/h3-5,7-8H,1,6H2,2H3,(H2,16,17,18,19)