8-chloranyl-7-[3-[4-(diethylamino)phenoxy]-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-[3-[4-(diethylamino)phenoxy]-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione Openeye Name: 8-chloro-7-[3-[4-(diethylamino)phenoxy]-2-hydroxy-propyl]-3-methyl-purine-2,6-dione CAS Name: 8-chloro-7-[3-[4-(diethylamino)phenoxy]-2-hydroxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-chloro-7-[3-[4-(diethylamino)phenoxy]-2-hydroxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-chloro-7-[3-[4-(diethylamino)phenoxy]-2-hydroxy-propyl]-3-methyl-xanthine Formula: C19H24ClN5O4 MolecularWeight: 421.87796

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)OCC(CN2C3=C(N=C2Cl)N(C(=O)NC3=O)C)O

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)OCC(CN2C3=C(N=C2Cl)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C19H24ClN5O4/c1-4-24(5-2)12-6-8-14(9-7-12)29-11-13(26)10-25-15-16(21-18(25)20)23(3)19(28)22-17(15)27/h6-9,13,26H,4-5,10-11H2,1-3H3,(H,22,27,28)