4-(3,7-dimethyl-2,6-dioxo-1-prop-2-enylpurin-8-yl)benzenesulfonic acid

CAS: 149981-25-9

Molecular Formula	`C16H16N4O5S`
Molecular Weight	376.4 g/mol
LogP	0.6
Topological Polar Surface Area	121.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	376.08414
Heavy Atoms	26
Complexity	698.0

Chemical Identifiers

CAS Number	149981-25-9
SMILES	`CN1C2=C(N=C1C3=CC=C(C=C3)S(=O)(=O)O)N(C(=O)N(C2=O)CC=C)C`
InChIKey	`CDMZOKMMANFJMU-UHFFFAOYSA-N`

📖 Product Overview

4-(3,7-dimethyl-2,6-dioxo-1-prop-2-enylpurin-8-yl)benzenesulfonic acid (CAS: 149981-25-9) is a chemical compound with molecular formula C16H16N4O5S and molecular weight 376.4 g/mol. Its IUPAC systematic name is 4-(3,7-dimethyl-2,6-dioxo-1-prop-2-enylpurin-8-yl)benzenesulfonic acid. LogP 0.6 Topological Polar Surface Area 121.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 4 Exact Mass 376.08414 Heavy Atoms 26 Complexity 698.0 InChI Key: CDMZOKMMANFJMU-UHFFFAOYSA-N. SMILES: CN1C2=C(N=C1C3=CC=C(C=C3)S(=O)(=O)O)N(C(=O)N(C2=O)CC=C)C.

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