8-[(2-chlorophenyl)methylamino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name: 8-[(2-chlorophenyl)methylamino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-[(2-chlorophenyl)methylamino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-[(2-chlorophenyl)methylamino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-[(2-chlorophenyl)methylamino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-[(2-chlorobenzyl)amino]-3-methyl-7-(3-phenylpropyl)xanthine Formula: C22H22ClN5O2 MolecularWeight: 423.89538

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC=C3Cl)CCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC=C3Cl)CCCC4=CC=CC=C4

InChI

InChI=1S/C22H22ClN5O2/c1-27-19-18(20(29)26-22(27)30)28(13-7-10-15-8-3-2-4-9-15)21(25-19)24-14-16-11-5-6-12-17(16)23/h2-6,8-9,11-12H,7,10,13-14H2,1H3,(H,24,25)(H,26,29,30)