7-butyl-3-methyl-1-(5-phosphonatopentyl)purine-2,6-dione

Systemtic Name: 7-butyl-3-methyl-1-(5-phosphonatopentyl)purine-2,6-dione Openeye Name: 7-butyl-3-methyl-1-(5-phosphonatopentyl)purine-2,6-dione CAS Name: 7-butyl-3-methyl-1-(5-phosphonatopentyl)purine-2,6-dione IUPAC Name: 7-butyl-3-methyl-1-(5-phosphonatopentyl)purine-2,6-dione Traditional Name: 7-butyl-3-methyl-1-(5-phosphonatopentyl)xanthine Formula: C15H23N4O5P-2 MolecularWeight: 370.340681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCP(=O)([O-])[O-]

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCP(=O)([O-])[O-]

InChI

InChI=1S/C15H25N4O5P/c1-3-4-8-18-11-16-13-12(18)14(20)19(15(21)17(13)2)9-6-5-7-10-25(22,23)24/h11H,3-10H2,1-2H3,(H2,22,23,24)/p-2