3-butyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(2-methoxyethyl)purine-2,6-dione

Systemtic Name: 3-butyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(2-methoxyethyl)purine-2,6-dione Openeye Name: 3-butyl-1-[(3,5-dimethylisoxazol-4-yl)methyl]-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 3-butyl-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-7-(2-methoxyethyl)purine-2,6-dione IUPAC Name: 3-butyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(2-methoxyethyl)purine-2,6-dione Traditional Name: 3-butyl-1-[(3,5-dimethylisoxazol-4-yl)methyl]-7-(2-methoxyethyl)xanthine Formula: C18H25N5O4 MolecularWeight: 375.4222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3=C(ON=C3C)C)N(C=N2)CCOC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=C(ON=C3C)C)N(C=N2)CCOC

InChI

InChI=1S/C18H25N5O4/c1-5-6-7-22-16-15(21(11-19-16)8-9-26-4)17(24)23(18(22)25)10-14-12(2)20-27-13(14)3/h11H,5-10H2,1-4H3