1,3-dibutyl-7-[(2-methyl-1,3-dioxan-2-yl)methyl]purine-2,6-dione

Systemtic Name: 1,3-dibutyl-7-[(2-methyl-1,3-dioxan-2-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dibutyl-7-[(2-methyl-1,3-dioxan-2-yl)methyl]purine-2,6-dione CAS Name: 1,3-dibutyl-7-[(2-methyl-1,3-dioxan-2-yl)methyl]purine-2,6-dione IUPAC Name: 1,3-dibutyl-7-[(2-methyl-1,3-dioxan-2-yl)methyl]purine-2,6-dione Traditional Name: 1,3-dibutyl-7-[(2-methyl-1,3-dioxan-2-yl)methyl]xanthine Formula: C19H30N4O4 MolecularWeight: 378.4659

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)CC3(OCCCO3)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)CC3(OCCCO3)C

InChI

InChI=1S/C19H30N4O4/c1-4-6-9-22-16-15(17(24)23(18(22)25)10-7-5-2)21(14-20-16)13-19(3)26-11-8-12-27-19/h14H,4-13H2,1-3H3