7-(2-methoxyethyl)-3-(2-methylpropyl)-1-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-3-isobutyl-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 1-benzyl-3-isobutyl-7-(2-methoxyethyl)xanthine Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O3/c1-14(2)11-22-17-16(21(13-20-17)9-10-26-3)18(24)23(19(22)25)12-15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3