7-butan-2-yl-1-methyl-3-(oxolan-2-yl)-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-butan-2-yl-1-methyl-3-(oxolan-2-yl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 1-methyl-8-piperazin-1-yl-7-sec-butyl-3-tetrahydrofuran-2-yl-purine-2,6-dione CAS Name: 7-butan-2-yl-1-methyl-3-(2-oxolanyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-butan-2-yl-1-methyl-3-(oxolan-2-yl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 1-methyl-8-piperazino-7-sec-butyl-3-(tetrahydrofuryl)xanthine Formula: C18H28N6O3 MolecularWeight: 376.45332

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)C4CCCO4

Isomeric SMILES

CCC(C)N1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)C4CCCO4

InChI

InChI=1S/C18H28N6O3/c1-4-12(2)23-14-15(20-17(23)22-9-7-19-8-10-22)24(13-6-5-11-27-13)18(26)21(3)16(14)25/h12-13,19H,4-11H2,1-3H3