3-methyl-7-[(2-methylphenyl)methyl]-6-oxidanylidene-8-[[(1R)-1-phenylethyl]amino]purin-2-olate

Systemtic Name: 3-methyl-7-[(2-methylphenyl)methyl]-6-oxidanylidene-8-[[(1R)-1-phenylethyl]amino]purin-2-olate Openeye Name: 3-methyl-7-(o-tolylmethyl)-6-oxo-8-[[(1R)-1-phenylethyl]amino]purin-2-olate CAS Name: 3-methyl-7-[(2-methylphenyl)methyl]-6-oxo-8-[[(1R)-1-phenylethyl]amino]-2-purinolate IUPAC Name: 3-methyl-7-[(2-methylphenyl)methyl]-6-oxo-8-[[(1R)-1-phenylethyl]amino]purin-2-olate Traditional Name: 6-keto-3-methyl-7-(2-methylbenzyl)-8-[[(1R)-1-phenylethyl]amino]purin-2-olate Formula: C22H22N5O2- MolecularWeight: 388.44238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(N=C2NC(C)C4=CC=CC=C4)N(C(=NC3=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(N=C2N[C@H](C)C4=CC=CC=C4)N(C(=NC3=O)[O-])C

InChI

InChI=1S/C22H23N5O2/c1-14-9-7-8-12-17(14)13-27-18-19(26(3)22(29)25-20(18)28)24-21(27)23-15(2)16-10-5-4-6-11-16/h4-12,15H,13H2,1-3H3,(H,23,24)(H,25,28,29)/p-1/t15-/m1/s1