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

Systemtic Name: 3-methyl-8-[(2Z)-2-(2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene)hydrazinyl]-7-phenethyl-purine-2,6-dione Openeye Name: 8-[(2Z)-2-(1-allyl-2-oxo-indolin-3-ylidene)hydrazino]-3-methyl-7-phenethyl-purine-2,6-dione CAS Name: 3-methyl-8-[(2Z)-2-(2-oxo-1-prop-2-enyl-3-indolylidene)hydrazinyl]-7-phenethylpurine-2,6-dione IUPAC Name: 3-methyl-8-[(2Z)-2-(2-oxo-1-prop-2-enylindol-3-ylidene)hydrazinyl]-7-phenethylpurine-2,6-dione Traditional Name: 8-[(N'Z)-N'-(1-allyl-2-keto-indolin-3-ylidene)hydrazino]-3-methyl-7-phenethyl-xanthine Formula: C25H23N7O3 MolecularWeight: 469.49522

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=C3C4=CC=CC=C4N(C3=O)CC=C)CCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C\3/C4=CC=CC=C4N(C3=O)CC=C)CCC5=CC=CC=C5

InChI

InChI=1S/C25H23N7O3/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/h3-12H,1,13-15H2,2H3,(H,26,29)(H,27,33,35)/b28-19-