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

Systemtic Name: 8-[(2-chlorophenyl)methylamino]-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-[(2-chlorophenyl)methylamino]-3-methyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-[(2-chlorophenyl)methylamino]-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-[(2-chlorophenyl)methylamino]-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-[(2-chlorobenzyl)amino]-3-methyl-7-(3-methylbenzyl)xanthine Formula: C21H20ClN5O2 MolecularWeight: 409.8688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2NCC4=CC=CC=C4Cl)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2NCC4=CC=CC=C4Cl)N(C(=O)NC3=O)C

InChI

InChI=1S/C21H20ClN5O2/c1-13-6-5-7-14(10-13)12-27-17-18(26(2)21(29)25-19(17)28)24-20(27)23-11-15-8-3-4-9-16(15)22/h3-10H,11-12H2,1-2H3,(H,23,24)(H,25,28,29)