8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-3-methyl-7-propyl-purine-2,6-dione

Systemtic Name: 8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 8-[2-(5-bromo-2-oxo-indol-3-yl)hydrazino]-3-methyl-7-propyl-purine-2,6-dione CAS Name: 8-[(5-bromo-2-oxo-3-indolyl)hydrazo]-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 8-[2-(5-bromo-2-oxoindol-3-yl)hydrazinyl]-3-methyl-7-propylpurine-2,6-dione Traditional Name: 8-[N'-(5-bromo-2-keto-indol-3-yl)hydrazino]-3-methyl-7-propyl-xanthine Formula: C17H16BrN7O3 MolecularWeight: 446.25804

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1NNC3=C4C=C(C=CC4=NC3=O)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1NNC3=C4C=C(C=CC4=NC3=O)Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H16BrN7O3/c1-3-6-25-12-13(24(2)17(28)21-15(12)27)20-16(25)23-22-11-9-7-8(18)4-5-10(9)19-14(11)26/h4-5,7H,3,6H2,1-2H3,(H,20,23)(H,19,22,26)(H,21,27,28)