7-(3-chloranyl-2-oxidanyl-propyl)-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione

Systemtic Name: 7-(3-chloranyl-2-oxidanyl-propyl)-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-(3-chloro-2-hydroxy-propyl)-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-(3-chloro-2-hydroxypropyl)-3-methyl-8-(4-methyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-(3-chloro-2-hydroxypropyl)-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-(3-chloro-2-hydroxy-propyl)-3-methyl-8-(4-methylpiperazino)xanthine Formula: C14H21ClN6O3 MolecularWeight: 356.80794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(N2CC(CCl)O)C(=O)NC(=O)N3C

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(N2CC(CCl)O)C(=O)NC(=O)N3C

InChI

InChI=1S/C14H21ClN6O3/c1-18-3-5-20(6-4-18)13-16-11-10(21(13)8-9(22)7-15)12(23)17-14(24)19(11)2/h9,22H,3-8H2,1-2H3,(H,17,23,24)