[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 1H-pyrazole-5-carboxylate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 1H-pyrazole-5-carboxylate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 1H-pyrazole-5-carboxylate CAS Name: 1H-pyrazole-5-carboxylic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 1H-pyrazole-5-carboxylate Traditional Name: 1H-pyrazole-5-carboxylic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C16H20N6O4 MolecularWeight: 360.3678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=NN3)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=NN3)CC

InChI

InChI=1S/C16H20N6O4/c1-3-5-8-22-13-12(14(23)19-16(22)25)21(4-2)11(18-13)9-26-15(24)10-6-7-17-20-10/h6-7H,3-5,8-9H2,1-2H3,(H,17,20)(H,19,23,25)