8-[bis(2-hydroxyethyl)amino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-[bis(2-hydroxyethyl)amino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[bis(2-hydroxyethyl)amino]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[bis(2-hydroxyethyl)amino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[bis(2-hydroxyethyl)amino]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-[bis(2-hydroxyethyl)amino]-1,3-dimethyl-xanthine Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(CCO)CCO)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(CCO)CCO)CC3=CC=CC=C3

InChI

InChI=1S/C18H23N5O4/c1-20-15-14(16(26)21(2)18(20)27)23(12-13-6-4-3-5-7-13)17(19-15)22(8-10-24)9-11-25/h3-7,24-25H,8-12H2,1-2H3