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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(4-propylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(4-propylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(4-propyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(4-propylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-3-methyl-8-(4-propylpiperazino)xanthine Formula: C20H25ClN6O2 MolecularWeight: 416.9045

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4Cl)C(=O)NC(=O)N3C

Isomeric SMILES

CCCN1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4Cl)C(=O)NC(=O)N3C

InChI

InChI=1S/C20H25ClN6O2/c1-3-8-25-9-11-26(12-10-25)19-22-17-16(18(28)23-20(29)24(17)2)27(19)13-14-6-4-5-7-15(14)21/h4-7H,3,8-13H2,1-2H3,(H,23,28,29)