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

Systemtic Name: 1,7-di(butan-2-yl)-3-methyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-8-piperazin-1-yl-1,7-disec-butyl-purine-2,6-dione CAS Name: 1,7-di(butan-2-yl)-3-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 1,7-di(butan-2-yl)-3-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 3-methyl-8-piperazino-1,7-disec-butyl-xanthine Formula: C18H30N6O2 MolecularWeight: 362.4698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N6O2/c1-6-12(3)23-14-15(20-17(23)22-10-8-19-9-11-22)21(5)18(26)24(16(14)25)13(4)7-2/h12-13,19H,6-11H2,1-5H3