3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 5-chloranyl-1,3-dimethyl-pyrazole-4-carboxylate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 5-chloranyl-1,3-dimethyl-pyrazole-4-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 5-chloro-1,3-dimethyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1,3-dimethyl-4-pyrazolecarboxylic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 5-chloro-1,3-dimethylpyrazole-4-carboxylate Traditional Name: 5-chloro-1,3-dimethyl-pyrazole-4-carboxylic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C16H19ClN6O4 MolecularWeight: 394.81286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C)Cl)C

InChI

InChI=1S/C16H19ClN6O4/c1-9-10(12(17)22(4)19-9)15(25)27-7-5-6-23-14(24)11-13(18-8-20(11)2)21(3)16(23)26/h8H,5-7H2,1-4H3