8-[(4-methoxyphenyl)methylamino]-3-methyl-7-[(2-methylphenyl)methyl]-6-oxidanylidene-purin-2-olate

Systemtic Name: 8-[(4-methoxyphenyl)methylamino]-3-methyl-7-[(2-methylphenyl)methyl]-6-oxidanylidene-purin-2-olate Openeye Name: 8-[(4-methoxyphenyl)methylamino]-3-methyl-7-(o-tolylmethyl)-6-oxo-purin-2-olate CAS Name: 8-[(4-methoxyphenyl)methylamino]-3-methyl-7-[(2-methylphenyl)methyl]-6-oxo-2-purinolate IUPAC Name: 8-[(4-methoxyphenyl)methylamino]-3-methyl-7-[(2-methylphenyl)methyl]-6-oxopurin-2-olate Traditional Name: 6-keto-3-methyl-7-(2-methylbenzyl)-8-(p-anisylamino)purin-2-olate Formula: C22H22N5O3- MolecularWeight: 404.44178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(N=C2NCC4=CC=C(C=C4)OC)N(C(=NC3=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(N=C2NCC4=CC=C(C=C4)OC)N(C(=NC3=O)[O-])C

InChI

InChI=1S/C22H23N5O3/c1-14-6-4-5-7-16(14)13-27-18-19(26(2)22(29)25-20(18)28)24-21(27)23-12-15-8-10-17(30-3)11-9-15/h4-11H,12-13H2,1-3H3,(H,23,24)(H,25,28,29)/p-1