3-butyl-8-chloranyl-1-methyl-7H-purine-2,6-dione

Systemtic Name: 3-butyl-8-chloranyl-1-methyl-7H-purine-2,6-dione Openeye Name: 3-butyl-8-chloro-1-methyl-7H-purine-2,6-dione CAS Name: 3-butyl-8-chloro-1-methyl-7H-purine-2,6-dione IUPAC Name: 3-butyl-8-chloro-1-methyl-7H-purine-2,6-dione Traditional Name: 3-butyl-8-chloro-1-methyl-7H-purine-2,6-quinone Formula: C10H13ClN4O2 MolecularWeight: 256.68882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl

InChI

InChI=1S/C10H13ClN4O2/c1-3-4-5-15-7-6(12-9(11)13-7)8(16)14(2)10(15)17/h3-5H2,1-2H3,(H,12,13)