3,7-dimethyl-1-[3-[7-methyl-2,6-bis(oxidanylidene)-3H-purin-1-yl]propyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[3-[7-methyl-2,6-bis(oxidanylidene)-3H-purin-1-yl]propyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-(7-methyl-2,6-dioxo-3H-purin-1-yl)propyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-(7-methyl-2,6-dioxo-3H-purin-1-yl)propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-(7-methyl-2,6-dioxo-3H-purin-1-yl)propyl]purine-2,6-dione Traditional Name: 1-[3-(2,6-diketo-7-methyl-3H-purin-1-yl)propyl]-3,7-dimethyl-xanthine Formula: C16H18N8O4 MolecularWeight: 386.36532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2)CCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2)CCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

InChI

InChI=1S/C16H18N8O4/c1-20-7-17-11-9(20)13(25)23(15(27)19-11)5-4-6-24-14(26)10-12(18-8-21(10)2)22(3)16(24)28/h7-8H,4-6H2,1-3H3,(H,19,27)