7-(3-chloranyl-2-oxidanyl-propyl)-3-methyl-8-[(phenylmethyl)amino]purine-2,6-dione

Systemtic Name: 7-(3-chloranyl-2-oxidanyl-propyl)-3-methyl-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-7-(3-chloro-2-hydroxy-propyl)-3-methyl-purine-2,6-dione CAS Name: 7-(3-chloro-2-hydroxypropyl)-3-methyl-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-7-(3-chloro-2-hydroxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-(benzylamino)-7-(3-chloro-2-hydroxy-propyl)-3-methyl-xanthine Formula: C16H18ClN5O3 MolecularWeight: 363.79882

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC=C3)CC(CCl)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC=C3)CC(CCl)O

InChI

InChI=1S/C16H18ClN5O3/c1-21-13-12(14(24)20-16(21)25)22(9-11(23)7-17)15(19-13)18-8-10-5-3-2-4-6-10/h2-6,11,23H,7-9H2,1H3,(H,18,19)(H,20,24,25)