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

Systemtic Name: 7-butan-2-yl-3-ethyl-1-methyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 3-ethyl-1-methyl-8-piperazin-1-yl-7-sec-butyl-purine-2,6-dione CAS Name: 7-butan-2-yl-3-ethyl-1-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-butan-2-yl-3-ethyl-1-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 3-ethyl-1-methyl-8-piperazino-7-sec-butyl-xanthine Formula: C16H26N6O2 MolecularWeight: 334.41664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N6O2/c1-5-11(3)22-12-13(18-15(22)20-9-7-17-8-10-20)21(6-2)16(24)19(4)14(12)23/h11,17H,5-10H2,1-4H3