azane; 1-pentan-2-yl-3,7-dihydropurine-2,6-dione

Systemtic Name: azane; 1-pentan-2-yl-3,7-dihydropurine-2,6-dione Openeye Name: ammonia; 1-(1-methylbutyl)-3,7-dihydropurine-2,6-dione CAS Name: ammonia; 1-pentan-2-yl-3,7-dihydropurine-2,6-dione IUPAC Name: azane; 1-pentan-2-yl-3,7-dihydropurine-2,6-dione Traditional Name: ammonia; 1-(1-methylbutyl)-7H-xanthine Formula: C10H17N5O2 MolecularWeight: 239.27428

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1C(=O)C2=C(NC1=O)N=CN2.N

Isomeric SMILES

CCCC(C)N1C(=O)C2=C(NC1=O)N=CN2.N

InChI

InChI=1S/C10H14N4O2.H3N/c1-3-4-6(2)14-9(15)7-8(12-5-11-7)13-10(14)16;/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,16);1H3