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

Systemtic Name: 3-(2-methylpropyl)-1-(3-oxidanylpropyl)-7H-purine-2,6-dione Openeye Name: 1-(3-hydroxypropyl)-3-isobutyl-7H-purine-2,6-dione CAS Name: 1-(3-hydroxypropyl)-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 1-(3-hydroxypropyl)-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 1-(3-hydroxypropyl)-3-isobutyl-7H-purine-2,6-quinone Formula: C12H18N4O3 MolecularWeight: 266.29632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)CCCO)NC=N2

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)CCCO)NC=N2

InChI

InChI=1S/C12H18N4O3/c1-8(2)6-16-10-9(13-7-14-10)11(18)15(12(16)19)4-3-5-17/h7-8,17H,3-6H2,1-2H3,(H,13,14)