7-(3-chloranylbut-2-enyl)-1,3-dimethyl-8-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]purine-2,6-dione

Systemtic Name: 7-(3-chloranylbut-2-enyl)-1,3-dimethyl-8-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]purine-2,6-dione Openeye Name: 7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-[2-(2-oxoindol-3-yl)hydrazino]purine-2,6-dione CAS Name: 7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-[(2-oxo-3-indolyl)hydrazo]purine-2,6-dione IUPAC Name: 7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-[2-(2-oxoindol-3-yl)hydrazinyl]purine-2,6-dione Traditional Name: 7-(3-chlorobut-2-enyl)-8-[N'-(2-ketoindol-3-yl)hydrazino]-1,3-dimethyl-xanthine Formula: C19H18ClN7O3 MolecularWeight: 427.84432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1NNC3=C4C=CC=CC4=NC3=O)N(C(=O)N(C2=O)C)C)Cl

Isomeric SMILES

CC(=CCN1C2=C(N=C1NNC3=C4C=CC=CC4=NC3=O)N(C(=O)N(C2=O)C)C)Cl

InChI

InChI=1S/C19H18ClN7O3/c1-10(20)8-9-27-14-15(25(2)19(30)26(3)17(14)29)22-18(27)24-23-13-11-6-4-5-7-12(11)21-16(13)28/h4-8H,9H2,1-3H3,(H,22,24)(H,21,23,28)