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

Systemtic Name: 8-(butylamino)-3-methyl-7-[(4-methylphenyl)methyl]-6-oxidanylidene-purin-2-olate Openeye Name: 8-(butylamino)-3-methyl-6-oxo-7-(p-tolylmethyl)purin-2-olate CAS Name: 8-(butylamino)-3-methyl-7-[(4-methylphenyl)methyl]-6-oxo-2-purinolate IUPAC Name: 8-(butylamino)-3-methyl-7-[(4-methylphenyl)methyl]-6-oxopurin-2-olate Traditional Name: 8-(butylamino)-6-keto-3-methyl-7-(4-methylbenzyl)purin-2-olate Formula: C18H22N5O2- MolecularWeight: 340.39958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(N1CC3=CC=C(C=C3)C)C(=O)N=C(N2C)[O-]

Isomeric SMILES

CCCCNC1=NC2=C(N1CC3=CC=C(C=C3)C)C(=O)N=C(N2C)[O-]

InChI

InChI=1S/C18H23N5O2/c1-4-5-10-19-17-20-15-14(16(24)21-18(25)22(15)3)23(17)11-13-8-6-12(2)7-9-13/h6-9H,4-5,10-11H2,1-3H3,(H,19,20)(H,21,24,25)/p-1