3-methyl-8-[4-[3-methyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]piperazin-1-yl]-7-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-[4-[3-methyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]piperazin-1-yl]-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 7-isobutyl-8-[4-(7-isobutyl-3-methyl-2,6-dioxo-purin-8-yl)piperazin-1-yl]-3-methyl-purine-2,6-dione CAS Name: 3-methyl-8-[4-[3-methyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]-1-piperazinyl]-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 3-methyl-8-[4-[3-methyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]piperazin-1-yl]-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-isobutyl-8-[4-(7-isobutyl-2,6-diketo-3-methyl-purin-8-yl)piperazino]-3-methyl-xanthine Formula: C24H34N10O4 MolecularWeight: 526.59136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1N3CCN(CC3)C4=NC5=C(N4CC(C)C)C(=O)NC(=O)N5C)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1N3CCN(CC3)C4=NC5=C(N4CC(C)C)C(=O)NC(=O)N5C)N(C(=O)NC2=O)C

InChI

InChI=1S/C24H34N10O4/c1-13(2)11-33-15-17(29(5)23(37)27-19(15)35)25-21(33)31-7-9-32(10-8-31)22-26-18-16(34(22)12-14(3)4)20(36)28-24(38)30(18)6/h13-14H,7-12H2,1-6H3,(H,27,35,37)(H,28,36,38)