(5Z)-5-[2,6-bis(oxidanylidene)-1,3-dipropyl-purin-8-ylidene]-2-methyl-1H-pyrazole-3-carboxylic acid

Systemtic Name: (5Z)-5-[2,6-bis(oxidanylidene)-1,3-dipropyl-purin-8-ylidene]-2-methyl-1H-pyrazole-3-carboxylic acid Openeye Name: (5Z)-5-(2,6-dioxo-1,3-dipropyl-purin-8-ylidene)-2-methyl-1H-pyrazole-3-carboxylic acid CAS Name: (5Z)-5-(2,6-dioxo-1,3-dipropyl-8-purinylidene)-2-methyl-1H-pyrazole-3-carboxylic acid IUPAC Name: (5Z)-5-(2,6-dioxo-1,3-dipropylpurin-8-ylidene)-2-methyl-1H-pyrazole-3-carboxylic acid Traditional Name: (5Z)-5-(2,6-diketo-1,3-dipropyl-purin-8-ylidene)-2-methyl-3-pyrazoline-3-carboxylic acid Formula: C16H20N6O4 MolecularWeight: 360.3678

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=C3C=C(N(N3)C)C(=O)O)N=C2C(=O)N(C1=O)CCC

Isomeric SMILES

CCCN1C2=N/C(=C\3/C=C(N(N3)C)C(=O)O)/N=C2C(=O)N(C1=O)CCC

InChI

InChI=1S/C16H20N6O4/c1-4-6-21-13-11(14(23)22(7-5-2)16(21)26)17-12(18-13)9-8-10(15(24)25)20(3)19-9/h8,19H,4-7H2,1-3H3,(H,24,25)/b12-9-