[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxylate CAS Name: 5-propan-2-yl-1-(2-pyridinyl)-4-pyrazolecarboxylic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate Traditional Name: 5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxylic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C24H29N7O4 MolecularWeight: 479.53156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(N(N=C3)C4=CC=CC=N4)C(C)C)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(N(N=C3)C4=CC=CC=N4)C(C)C)CC

InChI

InChI=1S/C24H29N7O4/c1-5-7-12-30-21-20(22(32)28-24(30)34)29(6-2)18(27-21)14-35-23(33)16-13-26-31(19(16)15(3)4)17-10-8-9-11-25-17/h8-11,13,15H,5-7,12,14H2,1-4H3,(H,28,32,34)