3-methyl-8-(4-phenethylpiperazin-1-yl)-7-propyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-(4-phenethylpiperazin-1-yl)-7-propyl-purine-2,6-dione Openeye Name: 3-methyl-8-(4-phenethylpiperazin-1-yl)-7-propyl-purine-2,6-dione CAS Name: 3-methyl-8-(4-phenethyl-1-piperazinyl)-7-propylpurine-2,6-dione IUPAC Name: 3-methyl-8-(4-phenethylpiperazin-1-yl)-7-propylpurine-2,6-dione Traditional Name: 3-methyl-8-(4-phenethylpiperazino)-7-propyl-xanthine Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N3CCN(CC3)CCC4=CC=CC=C4)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1N3CCN(CC3)CCC4=CC=CC=C4)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H28N6O2/c1-3-10-27-17-18(24(2)21(29)23-19(17)28)22-20(27)26-14-12-25(13-15-26)11-9-16-7-5-4-6-8-16/h4-8H,3,9-15H2,1-2H3,(H,23,28,29)