8-[bis(2-hydroxyethyl)amino]-7-[(4-chlorophenyl)methyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-[bis(2-hydroxyethyl)amino]-7-[(4-chlorophenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-[bis(2-hydroxyethyl)amino]-7-[(4-chlorophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-[bis(2-hydroxyethyl)amino]-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-[bis(2-hydroxyethyl)amino]-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-[bis(2-hydroxyethyl)amino]-7-(4-chlorobenzyl)-3-methyl-xanthine Formula: C17H20ClN5O4 MolecularWeight: 393.8248

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(CCO)CCO)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(CCO)CCO)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H20ClN5O4/c1-21-14-13(15(26)20-17(21)27)23(10-11-2-4-12(18)5-3-11)16(19-14)22(6-8-24)7-9-25/h2-5,24-25H,6-10H2,1H3,(H,20,26,27)