3-methyl-8-[(2E)-2-(2-oxidanylidene-1-propyl-indol-3-ylidene)hydrazinyl]-7-phenethyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-[(2E)-2-(2-oxidanylidene-1-propyl-indol-3-ylidene)hydrazinyl]-7-phenethyl-purine-2,6-dione Openeye Name: 3-methyl-8-[(2E)-2-(2-oxo-1-propyl-indolin-3-ylidene)hydrazino]-7-phenethyl-purine-2,6-dione CAS Name: 3-methyl-8-[(2E)-2-(2-oxo-1-propyl-3-indolylidene)hydrazinyl]-7-phenethylpurine-2,6-dione IUPAC Name: 3-methyl-8-[(2E)-2-(2-oxo-1-propylindol-3-ylidene)hydrazinyl]-7-phenethylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-(2-keto-1-propyl-indolin-3-ylidene)hydrazino]-3-methyl-7-phenethyl-xanthine Formula: C25H25N7O3 MolecularWeight: 471.5111

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NNC3=NC4=C(N3CCC5=CC=CC=C5)C(=O)NC(=O)N4C)C1=O

Isomeric SMILES

CCCN1C2=CC=CC=C2/C(=N\NC3=NC4=C(N3CCC5=CC=CC=C5)C(=O)NC(=O)N4C)/C1=O

InChI

InChI=1S/C25H25N7O3/c1-3-14-31-18-12-8-7-11-17(18)19(23(31)34)28-29-24-26-21-20(22(33)27-25(35)30(21)2)32(24)15-13-16-9-5-4-6-10-16/h4-12H,3,13-15H2,1-2H3,(H,26,29)(H,27,33,35)/b28-19+