2-[5,7-dibutyl-4,6-bis(oxidanylidene)pyrazolo[3,4-d]pyrimidin-2-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[5,7-dibutyl-4,6-bis(oxidanylidene)pyrazolo[3,4-d]pyrimidin-2-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-(5,7-dibutyl-4,6-dioxo-pyrazolo[3,4-d]pyrimidin-2-yl)sulfonylbenzonitrile CAS Name: 2-[(5,7-dibutyl-4,6-dioxo-2-pyrazolo[3,4-d]pyrimidinyl)sulfonyl]benzonitrile IUPAC Name: 2-(5,7-dibutyl-4,6-dioxopyrazolo[3,4-d]pyrimidin-2-yl)sulfonylbenzonitrile Traditional Name: 2-(5,7-dibutyl-4,6-diketo-pyrazolo[3,4-d]pyrimidin-2-yl)sulfonylbenzonitrile Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=NN(C=C2C(=O)N(C1=O)CCCC)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CCCCN1C2=NN(C=C2C(=O)N(C1=O)CCCC)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H23N5O4S/c1-3-5-11-23-18-16(19(26)24(20(23)27)12-6-4-2)14-25(22-18)30(28,29)17-10-8-7-9-15(17)13-21/h7-10,14H,3-6,11-12H2,1-2H3