3-butan-2-yl-8-propan-2-yl-7H-purine-2,6-dione

Systemtic Name: 3-butan-2-yl-8-propan-2-yl-7H-purine-2,6-dione Openeye Name: 8-isopropyl-3-sec-butyl-7H-purine-2,6-dione CAS Name: 3-butan-2-yl-8-propan-2-yl-7H-purine-2,6-dione IUPAC Name: 3-butan-2-yl-8-propan-2-yl-7H-purine-2,6-dione Traditional Name: 8-isopropyl-3-sec-butyl-7H-purine-2,6-quinone Formula: C12H18N4O2 MolecularWeight: 250.29692

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(C(=O)NC1=O)NC(=N2)C(C)C

Isomeric SMILES

CCC(C)N1C2=C(C(=O)NC1=O)NC(=N2)C(C)C

InChI

InChI=1S/C12H18N4O2/c1-5-7(4)16-10-8(11(17)15-12(16)18)13-9(14-10)6(2)3/h6-7H,5H2,1-4H3,(H,13,14)(H,15,17,18)