3-methyl-8-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]-7-[(2S)-2-oxidanyl-3-propan-2-yloxy-propyl]purine-2,6-dione

Systemtic Name: 3-methyl-8-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]-7-[(2S)-2-oxidanyl-3-propan-2-yloxy-propyl]purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-isopropoxy-propyl]-3-methyl-8-[2-(2-oxoindol-3-yl)hydrazino]purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-3-methyl-8-[(2-oxo-3-indolyl)hydrazo]purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-3-methyl-8-[2-(2-oxoindol-3-yl)hydrazinyl]purine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-isopropoxy-propyl]-8-[N'-(2-ketoindol-3-yl)hydrazino]-3-methyl-xanthine Formula: C20H23N7O5 MolecularWeight: 441.44052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(CN1C2=C(N=C1NNC3=C4C=CC=CC4=NC3=O)N(C(=O)NC2=O)C)O

Isomeric SMILES

CC(C)OC[C@H](CN1C2=C(N=C1NNC3=C4C=CC=CC4=NC3=O)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C20H23N7O5/c1-10(2)32-9-11(28)8-27-15-16(26(3)20(31)23-18(15)30)22-19(27)25-24-14-12-6-4-5-7-13(12)21-17(14)29/h4-7,10-11,28H,8-9H2,1-3H3,(H,22,25)(H,21,24,29)(H,23,30,31)/t11-/m0/s1