8-[[2-(2-hydroxyethyl)phenyl]methylamino]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione

Systemtic Name: 8-[[2-(2-hydroxyethyl)phenyl]methylamino]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione Openeye Name: 8-[[2-(2-hydroxyethyl)phenyl]methylamino]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione CAS Name: 8-[[2-(2-hydroxyethyl)phenyl]methylamino]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione IUPAC Name: 8-[[2-(2-hydroxyethyl)phenyl]methylamino]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione Traditional Name: 8-[[2-(2-hydroxyethyl)benzyl]amino]-3-methyl-7-(2-phenoxyethyl)xanthine Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC=C3CCO)CCOC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC=C3CCO)CCOC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O4/c1-27-20-19(21(30)26-23(27)31)28(12-14-32-18-9-3-2-4-10-18)22(25-20)24-15-17-8-6-5-7-16(17)11-13-29/h2-10,29H,11-15H2,1H3,(H,24,25)(H,26,30,31)