1,3,7-trimethyl-8-[2-[[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]ethylamino]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[2-[[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]ethylamino]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[2-[(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)amino]ethylamino]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)amino]ethylamino]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[2-[(1,3,7-trimethyl-2,6-dioxopurin-8-yl)amino]ethylamino]purine-2,6-dione Traditional Name: 8-[2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)amino]ethylamino]-1,3,7-trimethyl-xanthine Formula: C18H24N10O4 MolecularWeight: 444.44776

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCNC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1NCCNC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H24N10O4/c1-23-9-11(25(3)17(31)27(5)13(9)29)21-15(23)19-7-8-20-16-22-12-10(24(16)2)14(30)28(6)18(32)26(12)4/h7-8H2,1-6H3,(H,19,21)(H,20,22)