3-butyl-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-(2-methoxyethyl)purine-2,6-dione

Systemtic Name: 3-butyl-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-(2-methoxyethyl)purine-2,6-dione Openeye Name: 3-butyl-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 3-butyl-1-(2-imidazo[1,2-a]pyridinylmethyl)-7-(2-methoxyethyl)purine-2,6-dione IUPAC Name: 3-butyl-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-(2-methoxyethyl)purine-2,6-dione Traditional Name: 3-butyl-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-(2-methoxyethyl)xanthine Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3=CN4C=CC=CC4=N3)N(C=N2)CCOC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=CN4C=CC=CC4=N3)N(C=N2)CCOC

InChI

InChI=1S/C20H24N6O3/c1-3-4-9-25-18-17(24(14-21-18)10-11-29-2)19(27)26(20(25)28)13-15-12-23-8-6-5-7-16(23)22-15/h5-8,12,14H,3-4,9-11,13H2,1-2H3