(2-bromanyl-3-phenyl-prop-2-enylidene)-[[3-methyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]amino]azanium

Systemtic Name: (2-bromanyl-3-phenyl-prop-2-enylidene)-[[3-methyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]amino]azanium Openeye Name: (2-bromo-3-phenyl-prop-2-enylidene)-[(3-methyl-2,6-dioxo-7-propyl-purin-8-yl)amino]ammonium CAS Name: (2-bromo-3-phenylprop-2-enylidene)-[(3-methyl-2,6-dioxo-7-propyl-8-purinyl)amino]ammonium IUPAC Name: (2-bromo-3-phenylprop-2-enylidene)-[(3-methyl-2,6-dioxo-7-propylpurin-8-yl)amino]azanium Traditional Name: (2-bromo-3-phenyl-prop-2-enylidene)-[(2,6-diketo-3-methyl-7-propyl-purin-8-yl)amino]ammonium Formula: C18H20BrN6O2+ MolecularWeight: 432.2944

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N[NH+]=CC(=CC3=CC=CC=C3)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1N[NH+]=CC(=CC3=CC=CC=C3)Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H19BrN6O2/c1-3-9-25-14-15(24(2)18(27)22-16(14)26)21-17(25)23-20-11-13(19)10-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H,21,23)(H,22,26,27)/p+1