7-[[2,6-bis(chloranyl)phenyl]methyl]-3-methyl-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-[[2,6-bis(chloranyl)phenyl]methyl]-3-methyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-[(2,6-dichlorophenyl)methyl]-3-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-[(2,6-dichlorophenyl)methyl]-3-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[(2,6-dichlorophenyl)methyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(2,6-dichlorobenzyl)-3-methyl-8-piperazino-xanthine Formula: C17H18Cl2N6O2 MolecularWeight: 409.26982

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)CC4=C(C=CC=C4Cl)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)CC4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C17H18Cl2N6O2/c1-23-14-13(15(26)22-17(23)27)25(9-10-11(18)3-2-4-12(10)19)16(21-14)24-7-5-20-6-8-24/h2-4,20H,5-9H2,1H3,(H,22,26,27)