2-[8-iodanyl-4-(2-methylphenyl)phthalazin-1-yl]guanidine

Systemtic Name: 2-[8-iodanyl-4-(2-methylphenyl)phthalazin-1-yl]guanidine Openeye Name: 2-[8-iodo-4-(o-tolyl)phthalazin-1-yl]guanidine CAS Name: 2-[8-iodo-4-(2-methylphenyl)-1-phthalazinyl]guanidine IUPAC Name: 2-[8-iodo-4-(2-methylphenyl)phthalazin-1-yl]guanidine Traditional Name: 2-[8-iodo-4-(o-tolyl)phthalazin-1-yl]guanidine Formula: C16H14IN5 MolecularWeight: 403.22033

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(C3=C2C=CC=C3I)N=C(N)N

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(C3=C2C=CC=C3I)N=C(N)N

InChI

InChI=1S/C16H14IN5/c1-9-5-2-3-6-10(9)14-11-7-4-8-12(17)13(11)15(22-21-14)20-16(18)19/h2-8H,1H3,(H4,18,19,20,22)