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

Systemtic Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-phenethyl-purine-2,6-dione CAS Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-phenethylpurine-2,6-dione Traditional Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-phenethyl-xanthine Formula: C18H23N5O4 MolecularWeight: 373.40632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(CCO)CCO)CCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(CCO)CCO)CCC3=CC=CC=C3

InChI

InChI=1S/C18H23N5O4/c1-21-15-14(16(26)20-18(21)27)23(8-7-13-5-3-2-4-6-13)17(19-15)22(9-11-24)10-12-25/h2-6,24-25H,7-12H2,1H3,(H,20,26,27)