3-methyl-6-oxidanylidene-7-propan-2-yl-8-(propylamino)purin-2-olate

Systemtic Name: 3-methyl-6-oxidanylidene-7-propan-2-yl-8-(propylamino)purin-2-olate Openeye Name: 7-isopropyl-3-methyl-6-oxo-8-(propylamino)purin-2-olate CAS Name: 3-methyl-6-oxo-7-propan-2-yl-8-(propylamino)-2-purinolate IUPAC Name: 3-methyl-6-oxo-7-propan-2-yl-8-(propylamino)purin-2-olate Traditional Name: 7-isopropyl-6-keto-3-methyl-8-(propylamino)purin-2-olate Formula: C12H18N5O2- MolecularWeight: 264.30362

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=C(N1C(C)C)C(=O)N=C(N2C)[O-]

Isomeric SMILES

CCCNC1=NC2=C(N1C(C)C)C(=O)N=C(N2C)[O-]

InChI

InChI=1S/C12H19N5O2/c1-5-6-13-11-14-9-8(17(11)7(2)3)10(18)15-12(19)16(9)4/h7H,5-6H2,1-4H3,(H,13,14)(H,15,18,19)/p-1