4,6-dibutyl-2-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-pyrazolo[4,3-d]pyrimidine-5,7-dione

Systemtic Name: 4,6-dibutyl-2-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-pyrazolo[4,3-d]pyrimidine-5,7-dione Openeye Name: 4,6-dibutyl-2-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-pyrazolo[4,3-d]pyrimidine-5,7-dione CAS Name: 4,6-dibutyl-2-[(5-chloro-1,3-dimethyl-4-pyrazolyl)sulfonyl]pyrazolo[4,3-d]pyrimidine-5,7-dione IUPAC Name: 4,6-dibutyl-2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrazolo[4,3-d]pyrimidine-5,7-dione Traditional Name: 4,6-dibutyl-2-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-pyrazolo[4,3-d]pyrimidine-5,7-quinone Formula: C18H25ClN6O4S MolecularWeight: 456.9469

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CN(N=C2C(=O)N(C1=O)CCCC)S(=O)(=O)C3=C(N(N=C3C)C)Cl

Isomeric SMILES

CCCCN1C2=CN(N=C2C(=O)N(C1=O)CCCC)S(=O)(=O)C3=C(N(N=C3C)C)Cl

InChI

InChI=1S/C18H25ClN6O4S/c1-5-7-9-23-13-11-25(30(28,29)15-12(3)20-22(4)16(15)19)21-14(13)17(26)24(18(23)27)10-8-6-2/h11H,5-10H2,1-4H3