8-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-7-phenethyl-purine-2,6-dione

Systemtic Name: 8-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-7-phenethyl-purine-2,6-dione CAS Name: 8-[(4-ethyl-1-piperazinyl)methyl]-3-methyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-7-phenethylpurine-2,6-dione Traditional Name: 8-[(4-ethylpiperazino)methyl]-3-methyl-7-phenethyl-xanthine Formula: C21H28N6O2 MolecularWeight: 396.48602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=NC3=C(N2CCC4=CC=CC=C4)C(=O)NC(=O)N3C

Isomeric SMILES

CCN1CCN(CC1)CC2=NC3=C(N2CCC4=CC=CC=C4)C(=O)NC(=O)N3C

InChI

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