7-(3-oxidanylpropyl)-1,3-dipropyl-purine-2,6-dione

Systemtic Name: 7-(3-oxidanylpropyl)-1,3-dipropyl-purine-2,6-dione Openeye Name: 7-(3-hydroxypropyl)-1,3-dipropyl-purine-2,6-dione CAS Name: 7-(3-hydroxypropyl)-1,3-dipropylpurine-2,6-dione IUPAC Name: 7-(3-hydroxypropyl)-1,3-dipropylpurine-2,6-dione Traditional Name: 7-(3-hydroxypropyl)-1,3-dipropyl-xanthine Formula: C14H22N4O3 MolecularWeight: 294.34948

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C=N2)CCCO

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C=N2)CCCO

InChI

InChI=1S/C14H22N4O3/c1-3-6-17-12-11(16(10-15-12)8-5-9-19)13(20)18(7-4-2)14(17)21/h10,19H,3-9H2,1-2H3