7-(cyclopropylmethyl)-3-methyl-1-(3-phosphonatopropyl)purine-2,6-dione

Systemtic Name: 7-(cyclopropylmethyl)-3-methyl-1-(3-phosphonatopropyl)purine-2,6-dione Openeye Name: 7-(cyclopropylmethyl)-3-methyl-1-(3-phosphonatopropyl)purine-2,6-dione CAS Name: 7-(cyclopropylmethyl)-3-methyl-1-(3-phosphonatopropyl)purine-2,6-dione IUPAC Name: 7-(cyclopropylmethyl)-3-methyl-1-(3-phosphonatopropyl)purine-2,6-dione Traditional Name: 7-(cyclopropylmethyl)-3-methyl-1-(3-phosphonatopropyl)xanthine Formula: C13H17N4O5P-2 MolecularWeight: 340.271641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCCP(=O)([O-])[O-])N(C=N2)CC3CC3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCCP(=O)([O-])[O-])N(C=N2)CC3CC3

InChI

InChI=1S/C13H19N4O5P/c1-15-11-10(16(8-14-11)7-9-3-4-9)12(18)17(13(15)19)5-2-6-23(20,21)22/h8-9H,2-7H2,1H3,(H2,20,21,22)/p-2