8-[(2-chlorophenyl)methylamino]-3-methyl-7-[(2-methylphenyl)methyl]-6-oxidanylidene-purin-2-olate

Systemtic Name: 8-[(2-chlorophenyl)methylamino]-3-methyl-7-[(2-methylphenyl)methyl]-6-oxidanylidene-purin-2-olate Openeye Name: 8-[(2-chlorophenyl)methylamino]-3-methyl-7-(o-tolylmethyl)-6-oxo-purin-2-olate CAS Name: 8-[(2-chlorophenyl)methylamino]-3-methyl-7-[(2-methylphenyl)methyl]-6-oxo-2-purinolate IUPAC Name: 8-[(2-chlorophenyl)methylamino]-3-methyl-7-[(2-methylphenyl)methyl]-6-oxopurin-2-olate Traditional Name: 8-[(2-chlorobenzyl)amino]-6-keto-3-methyl-7-(2-methylbenzyl)purin-2-olate Formula: C21H19ClN5O2- MolecularWeight: 408.86086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(N=C2NCC4=CC=CC=C4Cl)N(C(=NC3=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(N=C2NCC4=CC=CC=C4Cl)N(C(=NC3=O)[O-])C

InChI

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