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

Systemtic Name: 7-butan-2-yl-3-methyl-8-piperazin-1-yl-1-prop-2-enyl-purine-2,6-dione Openeye Name: 1-allyl-3-methyl-8-piperazin-1-yl-7-sec-butyl-purine-2,6-dione CAS Name: 7-butan-2-yl-3-methyl-8-(1-piperazinyl)-1-prop-2-enylpurine-2,6-dione IUPAC Name: 7-butan-2-yl-3-methyl-8-piperazin-1-yl-1-prop-2-enylpurine-2,6-dione Traditional Name: 1-allyl-3-methyl-8-piperazino-7-sec-butyl-xanthine Formula: C17H26N6O2 MolecularWeight: 346.42734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N6O2/c1-5-9-22-15(24)13-14(20(4)17(22)25)19-16(23(13)12(3)6-2)21-10-7-18-8-11-21/h5,12,18H,1,6-11H2,2-4H3