3-methyl-8-[methyl-(phenylmethyl)amino]-7-(2-phenoxyethyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-[methyl-(phenylmethyl)amino]-7-(2-phenoxyethyl)purine-2,6-dione Openeye Name: 8-[benzyl(methyl)amino]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione CAS Name: 3-methyl-8-[methyl-(phenylmethyl)amino]-7-(2-phenoxyethyl)purine-2,6-dione IUPAC Name: 8-[benzyl(methyl)amino]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione Traditional Name: 8-[benzyl(methyl)amino]-3-methyl-7-(2-phenoxyethyl)xanthine Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)CC3=CC=CC=C3)CCOC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)CC3=CC=CC=C3)CCOC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O3/c1-25(15-16-9-5-3-6-10-16)21-23-19-18(20(28)24-22(29)26(19)2)27(21)13-14-30-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3,(H,24,28,29)