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

Systemtic Name: 7-butan-2-yl-3-methyl-1-phenacyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-1-phenacyl-8-piperazin-1-yl-7-sec-butyl-purine-2,6-dione CAS Name: 7-butan-2-yl-3-methyl-1-phenacyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-butan-2-yl-3-methyl-1-phenacyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 3-methyl-1-phenacyl-8-piperazino-7-sec-butyl-xanthine Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CCC(C)N1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C22H28N6O3/c1-4-15(2)28-18-19(24-21(28)26-12-10-23-11-13-26)25(3)22(31)27(20(18)30)14-17(29)16-8-6-5-7-9-16/h5-9,15,23H,4,10-14H2,1-3H3