7-butan-2-yl-1-methyl-8-piperazin-1-yl-3-propan-2-yl-purine-2,6-dione

Systemtic Name: 7-butan-2-yl-1-methyl-8-piperazin-1-yl-3-propan-2-yl-purine-2,6-dione Openeye Name: 3-isopropyl-1-methyl-8-piperazin-1-yl-7-sec-butyl-purine-2,6-dione CAS Name: 7-butan-2-yl-1-methyl-8-(1-piperazinyl)-3-propan-2-ylpurine-2,6-dione IUPAC Name: 7-butan-2-yl-1-methyl-8-piperazin-1-yl-3-propan-2-ylpurine-2,6-dione Traditional Name: 3-isopropyl-1-methyl-8-piperazino-7-sec-butyl-xanthine Formula: C17H28N6O2 MolecularWeight: 348.44322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N6O2/c1-6-12(4)23-13-14(19-16(23)21-9-7-18-8-10-21)22(11(2)3)17(25)20(5)15(13)24/h11-12,18H,6-10H2,1-5H3