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

Systemtic Name: 3-methyl-8-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]-7-(3-phenoxypropyl)purine-2,6-dione Openeye Name: 3-methyl-8-[2-(2-oxoindol-3-yl)hydrazino]-7-(3-phenoxypropyl)purine-2,6-dione CAS Name: 3-methyl-8-[(2-oxo-3-indolyl)hydrazo]-7-(3-phenoxypropyl)purine-2,6-dione IUPAC Name: 3-methyl-8-[2-(2-oxoindol-3-yl)hydrazinyl]-7-(3-phenoxypropyl)purine-2,6-dione Traditional Name: 8-[N'-(2-ketoindol-3-yl)hydrazino]-3-methyl-7-(3-phenoxypropyl)xanthine Formula: C23H21N7O4 MolecularWeight: 459.45734

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC3=C4C=CC=CC4=NC3=O)CCCOC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC3=C4C=CC=CC4=NC3=O)CCCOC5=CC=CC=C5

InChI

InChI=1S/C23H21N7O4/c1-29-19-18(21(32)26-23(29)33)30(12-7-13-34-14-8-3-2-4-9-14)22(25-19)28-27-17-15-10-5-6-11-16(15)24-20(17)31/h2-6,8-11H,7,12-13H2,1H3,(H,25,28)(H,24,27,31)(H,26,32,33)