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

Systemtic Name: 7-(3-chloranylbut-2-enyl)-3-methyl-8-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]purine-2,6-dione Openeye Name: 7-(3-chlorobut-2-enyl)-3-methyl-8-[2-(2-oxoindol-3-yl)hydrazino]purine-2,6-dione CAS Name: 7-(3-chlorobut-2-enyl)-3-methyl-8-[(2-oxo-3-indolyl)hydrazo]purine-2,6-dione IUPAC Name: 7-(3-chlorobut-2-enyl)-3-methyl-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]-3-methyl-xanthine Formula: C18H16ClN7O3 MolecularWeight: 413.81774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1NNC3=C4C=CC=CC4=NC3=O)N(C(=O)NC2=O)C)Cl

Isomeric SMILES

CC(=CCN1C2=C(N=C1NNC3=C4C=CC=CC4=NC3=O)N(C(=O)NC2=O)C)Cl

InChI

InChI=1S/C18H16ClN7O3/c1-9(19)7-8-26-13-14(25(2)18(29)22-16(13)28)21-17(26)24-23-12-10-5-3-4-6-11(10)20-15(12)27/h3-7H,8H2,1-2H3,(H,21,24)(H,20,23,27)(H,22,28,29)