7-butan-2-yl-3-(2-ethoxyethyl)-1-phenacyl-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-butan-2-yl-3-(2-ethoxyethyl)-1-phenacyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 3-(2-ethoxyethyl)-1-phenacyl-8-piperazin-1-yl-7-sec-butyl-purine-2,6-dione CAS Name: 7-butan-2-yl-3-(2-ethoxyethyl)-1-phenacyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-butan-2-yl-3-(2-ethoxyethyl)-1-phenacyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 3-(2-ethoxyethyl)-1-phenacyl-8-piperazino-7-sec-butyl-xanthine Formula: C25H34N6O4 MolecularWeight: 482.57526

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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)CCOCC

Isomeric SMILES

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

InChI

InChI=1S/C25H34N6O4/c1-4-18(3)31-21-22(27-24(31)28-13-11-26-12-14-28)29(15-16-35-5-2)25(34)30(23(21)33)17-20(32)19-9-7-6-8-10-19/h6-10,18,26H,4-5,11-17H2,1-3H3